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

C10H12ClNO4S — CID 106107878

IUPAC3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1scc(C)c1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4S/c1-5-4-17-8(7(5)11)9(13)12-3-6(16-2)10(14)15/h4,6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIAYTVOIEVQPCIQ-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.54
Rot. Bonds5

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

3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 106107878) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID106107878
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1scc(C)c1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4S/c1-5-4-17-8(7(5)11)9(13)12-3-6(16-2)10(14)15/h4,6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIAYTVOIEVQPCIQ-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
CID 107157265
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103401856
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 103400274
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
N-but-3-enyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103403000
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-but-3-ynyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405315

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid (CID 106107878) is 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1scc(C)c1Cl)C(=O)O.
What is the InChIKey of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is IAYTVOIEVQPCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-5-4-17-8(7(5)11)9(13)12-3-6(16-2)10(14)15/h4,6H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid?
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 277.73 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).