(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid

C15H20N2O3 — CID 104902032

IUPAC(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)[C@H]1CCCNC1
InChIInChI=1S/C15H20N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyFHKDYEOVWMAJIM-QWHCGFSZSA-N
MW276.34 g/mol
LogP0.80
Rot. Bonds5

About (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid

(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 104902032) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
PubChem CID104902032
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)[C@H]1CCCNC1
InChIInChI=1S/C15H20N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyFHKDYEOVWMAJIM-QWHCGFSZSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81128319
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
(2R)-3-(4-hydroxyphenyl)-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 104905636
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
CID 76895478
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
CID 103804303

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid (CID 104902032) is (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@H]1CCCNC1.
What is the InChIKey of (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is FHKDYEOVWMAJIM-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 104902032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).