4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid

C15H20N2O3 — CID 103869402

IUPAC4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(13-3-1-2-9-16-13)17-10-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,16H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyWDRLHOYCJSPBIU-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.19
Rot. Bonds5

About 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid

4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid (PubChem CID 103869402) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
PubChem CID103869402
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(13-3-1-2-9-16-13)17-10-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,16H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyWDRLHOYCJSPBIU-ZDUSSCGKSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
CID 61161224
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid (CID 103869402) is 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)[C@@H]2CCCCN2)cc1.
What is the InChIKey of 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid?
The InChIKey is WDRLHOYCJSPBIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(13-3-1-2-9-16-13)17-10-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,16H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid?
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 103869402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).