(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid

C22H24N2O4 — CID 119367535

IUPAC(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O4/c25-20(23-19(22(27)28)15-16-7-3-1-4-8-16)17-11-13-24(14-12-17)21(26)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,23,25)(H,27,28)/t19-/m1/s1
InChIKeyTYFULEKNZVQGLR-LJQANCHMSA-N
MW380.44 g/mol
LogP2.35
Rot. Bonds6

About (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119367535) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119367535
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O4/c25-20(23-19(22(27)28)15-16-7-3-1-4-8-16)17-11-13-24(14-12-17)21(26)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,23,25)(H,27,28)/t19-/m1/s1
InChIKeyTYFULEKNZVQGLR-LJQANCHMSA-N
XLogP2.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid
CID 120692929
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
CID 18734987
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 7093458
(2S)-3-phenyl-2-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]propanoic acid
CID 6353078
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid (CID 119367535) is (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is TYFULEKNZVQGLR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(23-19(22(27)28)15-16-7-3-1-4-8-16)17-11-13-24(14-12-17)21(26)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,23,25)(H,27,28)/t19-/m1/s1.
What are the key properties of (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).