(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid

C9H10BrNO3S — CID 119370174

IUPAC(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](C)C(=O)O)c(Br)s1
InChIInChI=1S/C9H10BrNO3S/c1-4-3-6(7(10)15-4)8(12)11-5(2)9(13)14/h3,5H,1-2H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyDMBDXPYZAIIKNP-RXMQYKEDSA-N
MW292.15 g/mol
LogP2.02
Rot. Bonds3

About (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid

(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid (PubChem CID 119370174) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid
PubChem CID119370174
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](C)C(=O)O)c(Br)s1
InChIInChI=1S/C9H10BrNO3S/c1-4-3-6(7(10)15-4)8(12)11-5(2)9(13)14/h3,5H,1-2H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyDMBDXPYZAIIKNP-RXMQYKEDSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
Thenoyl methionate
CID 40542948
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110
(S)-2-(2-Bromo-benzoylamino)-3-thiophen-2-yl-propionic acid
CID 44264674
2-((5-Bromothiophen-2-yl)formamido)propanoic acid
CID 20114994
2-[(5-Bromothiophen-2-yl)formamido]acetic acid
CID 20117582
3-[(5-Methylthiophen-3-yl)formamido]propanoic acid
CID 173207395
2-[1-(5-bromothiophen-2-yl)-N-methylformamido]acetic acid
CID 20120560
(2S)-4-methyl-2-[(4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 137978687
(3S)-3-[(3,5-dimethylthiophene-2-carbonyl)amino]butanoic acid
CID 164635212
(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 164635251
5-bromo-4-methyl-thiophene-2-carboxylic acid ((S)-1-pyrrolidin-3-ylmethyl)-amide trifluoro acetate
CID 131728401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid (CID 119370174) is (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N[C@H](C)C(=O)O)c(Br)s1.
What is the InChIKey of (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid?
The InChIKey is DMBDXPYZAIIKNP-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-4-3-6(7(10)15-4)8(12)11-5(2)9(13)14/h3,5H,1-2H3,(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid?
(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid has a molecular weight of 292.15 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119370174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).