(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid

C16H20N2O4 — CID 119238348

IUPAC(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-11(16(21)22)17-14(19)12-7-9-18(10-8-12)15(20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)(H,21,22)/t11-/m0/s1
InChIKeyUJGASHHZRJFVAZ-NSHDSACASA-N
MW304.35 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid

(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 119238348) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID119238348
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-11(16(21)22)17-14(19)12-7-9-18(10-8-12)15(20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)(H,21,22)/t11-/m0/s1
InChIKeyUJGASHHZRJFVAZ-NSHDSACASA-N
XLogP1.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid
CID 120692929
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid (CID 119238348) is (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid is C[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is UJGASHHZRJFVAZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(16(21)22)17-14(19)12-7-9-18(10-8-12)15(20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid?
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119238348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).