(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid

C16H16N2O3S — CID 149150673

IUPAC(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
SMILESO=C(Cc1ccccc1)N[C@@H](CSc1ccccn1)C(=O)O
InChIInChI=1S/C16H16N2O3S/c19-14(10-12-6-2-1-3-7-12)18-13(16(20)21)11-22-15-8-4-5-9-17-15/h1-9,13H,10-11H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyORGPXPUFTOYFIE-ZDUSSCGKSA-N
MW316.38 g/mol
LogP1.99
Rot. Bonds7

About (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid

(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid (PubChem CID 149150673) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
PubChem CID149150673
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
SMILESO=C(Cc1ccccc1)N[C@@H](CSc1ccccn1)C(=O)O
InChIInChI=1S/C16H16N2O3S/c19-14(10-12-6-2-1-3-7-12)18-13(16(20)21)11-22-15-8-4-5-9-17-15/h1-9,13H,10-11H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyORGPXPUFTOYFIE-ZDUSSCGKSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
3,3,3-trifluoro-2-(pyridin-2-ylsulfanylmethyl)propanoic acid
CID 80997161
2-acetamido-3-[(4-methyl-2-pyridinyl)sulfanyl]propanoic acid
CID 107768382
4-bromo-2-[(2-phenylacetyl)amino]butanoic acid
CID 141320981
CID 131882838
CID 131882838
CID 68604008
CID 68604008
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid (CID 149150673) is (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid is O=C(Cc1ccccc1)N[C@@H](CSc1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid?
The InChIKey is ORGPXPUFTOYFIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-14(10-12-6-2-1-3-7-12)18-13(16(20)21)11-22-15-8-4-5-9-17-15/h1-9,13H,10-11H2,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid?
(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid has a molecular weight of 316.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 149150673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).