2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid

C10H13NO3S — CID 43387169

IUPAC2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1sccc1C)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-3-7(10(13)14)11-9(12)8-6(2)4-5-15-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyNPKMYAGSTZBFRO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.65
Rot. Bonds4

About 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid

2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 43387169) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID43387169
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1sccc1C)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-3-7(10(13)14)11-9(12)8-6(2)4-5-15-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyNPKMYAGSTZBFRO-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782
4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 62479640
3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579009
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 53216107
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
CID 114299504
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
CID 86909665

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid (CID 43387169) is 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid is CCC(NC(=O)c1sccc1C)C(=O)O.
What is the InChIKey of 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is NPKMYAGSTZBFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-7(10(13)14)11-9(12)8-6(2)4-5-15-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43387169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).