(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid

C7H7BrN2O3S — CID 130609381

IUPAC(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1scnc1Br)C(=O)O
InChIInChI=1S/C7H7BrN2O3S/c1-3(7(12)13)10-6(11)4-5(8)9-2-14-4/h2-3H,1H3,(H,10,11)(H,12,13)/t3-/m1/s1
InChIKeyGBNZQTPISJSNQL-GSVOUGTGSA-N
MW279.12 g/mol
LogP1.11
Rot. Bonds3

About (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid

(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 130609381) has the molecular formula C7H7BrN2O3S and a molecular weight of 279.12 g/mol. Its IUPAC name is (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID130609381
Molecular FormulaC7H7BrN2O3S
Molecular Weight279.12 g/mol
Exact Mass277.94
IUPAC Name(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1scnc1Br)C(=O)O
InChIInChI=1S/C7H7BrN2O3S/c1-3(7(12)13)10-6(11)4-5(8)9-2-14-4/h2-3H,1H3,(H,10,11)(H,12,13)/t3-/m1/s1
InChIKeyGBNZQTPISJSNQL-GSVOUGTGSA-N
XLogP1.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 127019911
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 117214967
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
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2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 130609381) is (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1scnc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is GBNZQTPISJSNQL-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H7BrN2O3S/c1-3(7(12)13)10-6(11)4-5(8)9-2-14-4/h2-3H,1H3,(H,10,11)(H,12,13)/t3-/m1/s1.
What are the key properties of (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid?
(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 279.12 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 130609381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).