3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid

C8H11N3O3S — CID 62787414

IUPAC3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1csc(N)n1)C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-4(7(13)14)2-10-6(12)5-3-15-8(9)11-5/h3-4H,2H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyATYPJVOHTLMHRJ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.18
Rot. Bonds4

About 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid

3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62787414) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62787414
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1csc(N)n1)C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-4(7(13)14)2-10-6(12)5-3-15-8(9)11-5/h3-4H,2H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyATYPJVOHTLMHRJ-UHFFFAOYSA-N
XLogP0.18
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 62787415
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161214
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 65241812

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 62787414) is 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1csc(N)n1)C(=O)O.
What is the InChIKey of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ATYPJVOHTLMHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-4(7(13)14)2-10-6(12)5-3-15-8(9)11-5/h3-4H,2H2,1H3,(H2,9,11)(H,10,12)(H,13,14).
What are the key properties of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid?
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62787414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).