2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid

C10H13NO3S — CID 110836780

IUPAC2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1csc(C(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C10H13NO3S/c1-6-4-8(15-5-6)9(12)11(3)7(2)10(13)14/h4-5,7H,1-3H3,(H,13,14)
InChIKeyPAYNQNBHMZUCTC-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.60
Rot. Bonds3

About 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid

2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 110836780) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID110836780
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1csc(C(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C10H13NO3S/c1-6-4-8(15-5-6)9(12)11(3)7(2)10(13)14/h4-5,7H,1-3H3,(H,13,14)
InChIKeyPAYNQNBHMZUCTC-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 65199404
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 110836782
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2-[[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]-methylamino]propanoic acid
CID 119358764
1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 59450303
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742
2-[(2-chloro-4,5-difluorobenzoyl)-methylamino]propanoic acid
CID 62626388
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid (CID 110836780) is 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid is Cc1csc(C(=O)N(C)C(C)C(=O)O)c1.
What is the InChIKey of 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is PAYNQNBHMZUCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-4-8(15-5-6)9(12)11(3)7(2)10(13)14/h4-5,7H,1-3H3,(H,13,14).
What are the key properties of 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid?
2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).