(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid

C15H19N3O4 — CID 125148264

IUPAC(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESNC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H19N3O4/c16-15(22)18-8-4-7-11(9-18)13(19)17-12(14(20)21)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H2,16,22)(H,17,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyJCQYTEUCUMZFQE-NWDGAFQWSA-N
MW305.33 g/mol
LogP0.72
Rot. Bonds4

About (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid

(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 125148264) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID125148264
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESNC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H19N3O4/c16-15(22)18-8-4-7-11(9-18)13(19)17-12(14(20)21)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H2,16,22)(H,17,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyJCQYTEUCUMZFQE-NWDGAFQWSA-N
XLogP0.72
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 51315265
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119367956
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid (CID 125148264) is (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid is NC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is JCQYTEUCUMZFQE-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-15(22)18-8-4-7-11(9-18)13(19)17-12(14(20)21)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H2,16,22)(H,17,19)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid?
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 305.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 125148264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).