3-(3-carboxyphenyl)piperidine-2-carboxylic acid

C13H15NO4 — CID 165483280

IUPAC3-(3-carboxyphenyl)piperidine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2CCCNC2C(=O)O)c1
InChIInChI=1S/C13H15NO4/c15-12(16)9-4-1-3-8(7-9)10-5-2-6-14-11(10)13(17)18/h1,3-4,7,10-11,14H,2,5-6H2,(H,15,16)(H,17,18)
InChIKeyPTZDJMFAVPCMJS-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.30
Rot. Bonds3

About 3-(3-carboxyphenyl)piperidine-2-carboxylic acid

3-(3-carboxyphenyl)piperidine-2-carboxylic acid (PubChem CID 165483280) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3-carboxyphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxyphenyl)piperidine-2-carboxylic acid
PubChem CID165483280
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(3-carboxyphenyl)piperidine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2CCCNC2C(=O)O)c1
InChIInChI=1S/C13H15NO4/c15-12(16)9-4-1-3-8(7-9)10-5-2-6-14-11(10)13(17)18/h1,3-4,7,10-11,14H,2,5-6H2,(H,15,16)(H,17,18)
InChIKeyPTZDJMFAVPCMJS-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082
3-thiophen-3-ylpiperidine-2-carboxylic acid
CID 165483668
(2S,3R)-3-(3-carboxy-5-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 78320621
3-[4-[(2R)-pyrrolidin-2-yl]phenyl]benzoic acid
CID 125012094
3-[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]benzoic acid
CID 58617146
acetylene;3-methylbenzoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 144771150
(2S,3R)-3-(3-carboxy-5-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 78320617
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxyphenyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-(3-carboxyphenyl)piperidine-2-carboxylic acid (CID 165483280) is 3-(3-carboxyphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-(3-carboxyphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-(3-carboxyphenyl)piperidine-2-carboxylic acid is O=C(O)c1cccc(C2CCCNC2C(=O)O)c1.
What is the InChIKey of 3-(3-carboxyphenyl)piperidine-2-carboxylic acid?
The InChIKey is PTZDJMFAVPCMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)9-4-1-3-8(7-9)10-5-2-6-14-11(10)13(17)18/h1,3-4,7,10-11,14H,2,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-(3-carboxyphenyl)piperidine-2-carboxylic acid?
3-(3-carboxyphenyl)piperidine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxyphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 165483280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).