(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid

C15H20N2O3 — CID 942242

IUPAC(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-14(19)13(11-12-7-3-1-4-8-12)16-15(20)17-9-5-2-6-10-17/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyHOXYNAXZKRZBIC-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds4

About (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid

(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid (PubChem CID 942242) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
PubChem CID942242
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-14(19)13(11-12-7-3-1-4-8-12)16-15(20)17-9-5-2-6-10-17/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyHOXYNAXZKRZBIC-ZDUSSCGKSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 4869509
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 106315741
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]piperidine-1-carboxamide
CID 118731992

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid (CID 942242) is (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid is O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1.
What is the InChIKey of (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid?
The InChIKey is HOXYNAXZKRZBIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)13(11-12-7-3-1-4-8-12)16-15(20)17-9-5-2-6-10-17/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid?
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 942242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).