3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

C9H13N3O6S2 — CID 43357669

IUPAC3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCS(=O)(=O)Nc1nc(CC(=O)NC(CO)C(=O)O)cs1
InChIInChI=1S/C9H13N3O6S2/c1-20(17,18)12-9-10-5(4-19-9)2-7(14)11-6(3-13)8(15)16/h4,6,13H,2-3H2,1H3,(H,10,12)(H,11,14)(H,15,16)
InChIKeyQIOYAWFDSAJPRA-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.38
Rot. Bonds7

About 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 43357669) has the molecular formula C9H13N3O6S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
PubChem CID43357669
Molecular FormulaC9H13N3O6S2
Molecular Weight323.35 g/mol
Exact Mass323.02
IUPAC Name3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCS(=O)(=O)Nc1nc(CC(=O)NC(CO)C(=O)O)cs1
InChIInChI=1S/C9H13N3O6S2/c1-20(17,18)12-9-10-5(4-19-9)2-7(14)11-6(3-13)8(15)16/h4,6,13H,2-3H2,1H3,(H,10,12)(H,11,14)(H,15,16)
InChIKeyQIOYAWFDSAJPRA-UHFFFAOYSA-N
XLogP-1.38
TPSA145.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]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-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 110450436
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 66170440
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 51931287

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (CID 43357669) is 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is CS(=O)(=O)Nc1nc(CC(=O)NC(CO)C(=O)O)cs1.
What is the InChIKey of 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is QIOYAWFDSAJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6S2/c1-20(17,18)12-9-10-5(4-19-9)2-7(14)11-6(3-13)8(15)16/h4,6,13H,2-3H2,1H3,(H,10,12)(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of -1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 43357669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).