3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid

C10H12ClNO3S — CID 103399973

IUPAC3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCc1csc(C(=O)NC(C)CC(=O)O)c1Cl
InChIInChI=1S/C10H12ClNO3S/c1-5-4-16-9(8(5)11)10(15)12-6(2)3-7(13)14/h4,6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyLOWJHCFZKYEZAP-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.30
Rot. Bonds4

About 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid

3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 103399973) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID103399973
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCc1csc(C(=O)NC(C)CC(=O)O)c1Cl
InChIInChI=1S/C10H12ClNO3S/c1-5-4-16-9(8(5)11)10(15)12-6(2)3-7(13)14/h4,6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyLOWJHCFZKYEZAP-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 103400274
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103401856
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106184622
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103400169
3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
CID 107157265
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid (CID 103399973) is 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid is Cc1csc(C(=O)NC(C)CC(=O)O)c1Cl.
What is the InChIKey of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is LOWJHCFZKYEZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-5-4-16-9(8(5)11)10(15)12-6(2)3-7(13)14/h4,6H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid?
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 261.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103399973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).