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

C7H9N3O4S — CID 107835842

IUPAC(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
SMILESNc1nc(C(=O)NC[C@H](O)C(=O)O)cs1
InChIInChI=1S/C7H9N3O4S/c8-7-10-3(2-15-7)5(12)9-1-4(11)6(13)14/h2,4,11H,1H2,(H2,8,10)(H,9,12)(H,13,14)/t4-/m0/s1
InChIKeyZORBXGMTWBZSEF-BYPYZUCNSA-N
MW231.23 g/mol
LogP-1.10
Rot. Bonds4

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

(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 107835842) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID107835842
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
SMILESNc1nc(C(=O)NC[C@H](O)C(=O)O)cs1
InChIInChI=1S/C7H9N3O4S/c8-7-10-3(2-15-7)5(12)9-1-4(11)6(13)14/h2,4,11H,1H2,(H2,8,10)(H,9,12)(H,13,14)/t4-/m0/s1
InChIKeyZORBXGMTWBZSEF-BYPYZUCNSA-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

3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 62787415
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
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
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457217
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid (CID 107835842) is (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid is Nc1nc(C(=O)NC[C@H](O)C(=O)O)cs1.
What is the InChIKey of (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is ZORBXGMTWBZSEF-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9N3O4S/c8-7-10-3(2-15-7)5(12)9-1-4(11)6(13)14/h2,4,11H,1H2,(H2,8,10)(H,9,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-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 (2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107835842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).