(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid

C16H16N2O3 — CID 103804335

IUPAC(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1cccnc1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c19-15(10-13-7-4-8-17-11-13)18-14(16(20)21)9-12-5-2-1-3-6-12/h1-8,11,14H,9-10H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeySWGHSTLWHFNDHE-CQSZACIVSA-N
MW284.31 g/mol
LogP1.44
Rot. Bonds6

About (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid

(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid (PubChem CID 103804335) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
PubChem CID103804335
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1cccnc1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c19-15(10-13-7-4-8-17-11-13)18-14(16(20)21)9-12-5-2-1-3-6-12/h1-8,11,14H,9-10H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeySWGHSTLWHFNDHE-CQSZACIVSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoic acid
CID 87378706

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid (CID 103804335) is (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid is O=C(Cc1cccnc1)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The InChIKey is SWGHSTLWHFNDHE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(10-13-7-4-8-17-11-13)18-14(16(20)21)9-12-5-2-1-3-6-12/h1-8,11,14H,9-10H2,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 103804335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).