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

C7H9N3O4S — CID 62788085

IUPAC2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
SMILESNc1nc(C(=O)NC(CO)C(=O)O)cs1
InChIInChI=1S/C7H9N3O4S/c8-7-10-4(2-15-7)5(12)9-3(1-11)6(13)14/h2-3,11H,1H2,(H2,8,10)(H,9,12)(H,13,14)
InChIKeyFMWGIAJHQBHECE-UHFFFAOYSA-N
MW231.23 g/mol
LogP-1.10
Rot. Bonds4

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

2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 62788085) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID62788085
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
SMILESNc1nc(C(=O)NC(CO)C(=O)O)cs1
InChIInChI=1S/C7H9N3O4S/c8-7-10-4(2-15-7)5(12)9-3(1-11)6(13)14/h2-3,11H,1H2,(H2,8,10)(H,9,12)(H,13,14)
InChIKeyFMWGIAJHQBHECE-UHFFFAOYSA-N
XLogP-1.10
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
(2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107824964
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
CID 72877180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid (CID 62788085) is 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid is Nc1nc(C(=O)NC(CO)C(=O)O)cs1.
What is the InChIKey of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is FMWGIAJHQBHECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c8-7-10-4(2-15-7)5(12)9-3(1-11)6(13)14/h2-3,11H,1H2,(H2,8,10)(H,9,12)(H,13,14).
What are the key properties of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 231.23 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 62788085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).