(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid

C10H12N2O3S — CID 61131663

IUPAC(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
SMILESC[C@H](NC(=O)CSc1ccncc1)C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-7(10(14)15)12-9(13)6-16-8-2-4-11-5-3-8/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyJRSDQGHYQILAOW-ZETCQYMHSA-N
MW240.28 g/mol
LogP0.76
Rot. Bonds5

About (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid

(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid (PubChem CID 61131663) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
PubChem CID61131663
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
SMILESC[C@H](NC(=O)CSc1ccncc1)C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-7(10(14)15)12-9(13)6-16-8-2-4-11-5-3-8/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyJRSDQGHYQILAOW-ZETCQYMHSA-N
XLogP0.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
CID 79255664
ethyl 2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 61343151
(2S)-4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 61156542
4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 43170168
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
tert-butyl (2R)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 81004061
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanedioic acid
CID 60832489
(2R)-4-methylsulfanyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid
CID 93306045
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid (CID 61131663) is (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid is C[C@H](NC(=O)CSc1ccncc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
The InChIKey is JRSDQGHYQILAOW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7(10(14)15)12-9(13)6-16-8-2-4-11-5-3-8/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid is sourced from PubChem (CID 61131663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).