(2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid

C18H25NO2 — CID 129470175

IUPAC(2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid
SMILESC[C@]1(c2ccccc2)CC[C@@H](N2CCCC[C@H]2C(=O)O)C1
InChIInChI=1S/C18H25NO2/c1-18(14-7-3-2-4-8-14)11-10-15(13-18)19-12-6-5-9-16(19)17(20)21/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,21)/t15-,16+,18+/m1/s1
InChIKeyCRPXFIVCBSDYQV-RYRKJORJSA-N
MW287.40 g/mol
LogP3.44
Rot. Bonds3

About (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid

(2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid (PubChem CID 129470175) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid
PubChem CID129470175
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid
SMILESC[C@]1(c2ccccc2)CC[C@@H](N2CCCC[C@H]2C(=O)O)C1
InChIInChI=1S/C18H25NO2/c1-18(14-7-3-2-4-8-14)11-10-15(13-18)19-12-6-5-9-16(19)17(20)21/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,21)/t15-,16+,18+/m1/s1
InChIKeyCRPXFIVCBSDYQV-RYRKJORJSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid
CID 81131448
(1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 46949150
1-(2,2-dimethyloxan-4-yl)azepane-2-carboxylic acid
CID 65069518
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
(3aS,6aR)-2-(3-methyl-3-phenylcyclopentyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045055
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
CID 126796367
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid (CID 129470175) is (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid is C[C@]1(c2ccccc2)CC[C@@H](N2CCCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid?
The InChIKey is CRPXFIVCBSDYQV-RYRKJORJSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(14-7-3-2-4-8-14)11-10-15(13-18)19-12-6-5-9-16(19)17(20)21/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,21)/t15-,16+,18+/m1/s1.
What are the key properties of (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid?
(2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R,3S)-3-methyl-3-phenylcyclopentyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129470175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).