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

C11H14ClNO3S — CID 103399966

IUPAC4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
SMILESCc1csc(C(=O)N(C)CCCC(=O)O)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-7-6-17-10(9(7)12)11(16)13(2)5-3-4-8(14)15/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyRDHYTMRKHALQEU-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.65
Rot. Bonds5

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

4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid (PubChem CID 103399966) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
PubChem CID103399966
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
SMILESCc1csc(C(=O)N(C)CCCC(=O)O)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-7-6-17-10(9(7)12)11(16)13(2)5-3-4-8(14)15/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyRDHYTMRKHALQEU-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 103403645
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 110836782
4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid
CID 43240299
3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 103406176
4-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid
CID 43359947
N-butyl-3-chloro-N-(2-chloroethyl)-4-methylthiophene-2-carboxamide
CID 103405838
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
N-(2-bromoethyl)-N-butyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405901
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
CID 103403343
4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 43240394

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid (CID 103399966) is 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid is Cc1csc(C(=O)N(C)CCCC(=O)O)c1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
The InChIKey is RDHYTMRKHALQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-7-6-17-10(9(7)12)11(16)13(2)5-3-4-8(14)15/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid has a molecular weight of 275.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 103399966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).