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

C15H20N2O3 — CID 104913877

IUPAC2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(CNC(=O)[C@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(13-8-4-5-9-16-13)17-10-12(15(19)20)11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,17,18)(H,19,20)/t12?,13-/m1/s1
InChIKeyCNLXLPYUPHATJD-ZGTCLIOFSA-N
MW276.34 g/mol
LogP1.11
Rot. Bonds5

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

2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid (PubChem CID 104913877) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
PubChem CID104913877
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(CNC(=O)[C@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(13-8-4-5-9-16-13)17-10-12(15(19)20)11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,17,18)(H,19,20)/t12?,13-/m1/s1
InChIKeyCNLXLPYUPHATJD-ZGTCLIOFSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
CID 119336032
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-(2,3-diphenylpropyl)piperidine-2-carboxamide
CID 119335224
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid (CID 104913877) is 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid is O=C(O)C(CNC(=O)[C@H]1CCCCN1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
The InChIKey is CNLXLPYUPHATJD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(13-8-4-5-9-16-13)17-10-12(15(19)20)11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,17,18)(H,19,20)/t12?,13-/m1/s1.
What are the key properties of 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 104913877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).