1.0 2010-04-08 22:11:34 UTC 2019-11-26 03:11:02 UTC FDB014965 (1'R)-Nepetalic acid Constituent of Nepeta cataria (catnip). (1'R)-Nepetalic acid is found in tea and herbs and spices. trans-1,2,trans-1,5-2-(1-Formylethyl)-5-methyl-cyclopentanecarboxylic acidNepetalic acid C10H16O3 184.2322 184.109944378 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid 21651-54-7 CC(C=O)C1CCC(C)C1C(O)=O InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13) RGTMAXSVLBZNEL-UHFFFAOYSA-N belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Monocyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Aldehydes Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aldehyde Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 1.51 ALOGPS logs -1.73 ALOGPS solubility 3.45e+00 g/l ALOGPS melting_point Mp 73-75° logp 1.53 ChemAxon pka_strongest_acidic 4.59 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid ChemAxon average_mass 184.2322 ChemAxon mono_mass 184.109944378 ChemAxon smiles CC(C=O)C1CCC(C)C1C(O)=O ChemAxon formula C10H16O3 ChemAxon inchi InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13) ChemAxon inchikey RGTMAXSVLBZNEL-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 48.26 ChemAxon polarizability 19.71 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13901 Specdb::CMs 44732 Specdb::CMs 134483 Specdb::CMs 142217 Specdb::MsMs 7964 Specdb::MsMs 7965 Specdb::MsMs 7966 Specdb::MsMs 8111 Specdb::MsMs 8112 Specdb::MsMs 8113 Specdb::MsMs 12212 Specdb::MsMs 12213 Specdb::MsMs 12214 Specdb::MsMs 14636 Specdb::MsMs 14637 Specdb::MsMs 14638 Specdb::MsMs 14783 Specdb::MsMs 14784 Specdb::MsMs 14785 Specdb::MsMs 18884 Specdb::MsMs 18885 Specdb::MsMs 18886 Specdb::MsMs 2796980 Specdb::MsMs 2796981 Specdb::MsMs 2796982 Specdb::MsMs 2881571 Specdb::MsMs 2881572 Specdb::MsMs 2881573 Specdb::NmrOneD 133698 Specdb::NmrOneD 133699 Specdb::NmrOneD 133700 Specdb::NmrOneD 133701 Specdb::NmrOneD 133702 Specdb::NmrOneD 133703 Specdb::NmrOneD 133704 Specdb::NmrOneD 133705 Specdb::NmrOneD 133706 Specdb::NmrOneD 133707 Specdb::NmrOneD 133708 Specdb::NmrOneD 133709 Specdb::NmrOneD 133710 Specdb::NmrOneD 133711 Specdb::NmrOneD 133712 Specdb::NmrOneD 133713 Specdb::NmrOneD 133714 Specdb::NmrOneD 133715 Specdb::NmrOneD 133716 Specdb::NmrOneD 133717 HMDB36117 #<Reference:0x000055ce3205d6f0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442