2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid

C11H13ClN2O4 — CID 81078412

IUPAC2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
SMILESCOCC(Nc1ccc(C(N)=O)cc1Cl)C(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-18-5-9(11(16)17)14-8-3-2-6(10(13)15)4-7(8)12/h2-4,9,14H,5H2,1H3,(H2,13,15)(H,16,17)
InChIKeyZQAJEYSENKPTJY-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.95
Rot. Bonds6

About 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid

2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid (PubChem CID 81078412) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
PubChem CID81078412
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
SMILESCOCC(Nc1ccc(C(N)=O)cc1Cl)C(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-18-5-9(11(16)17)14-8-3-2-6(10(13)15)4-7(8)12/h2-4,9,14H,5H2,1H3,(H2,13,15)(H,16,17)
InChIKeyZQAJEYSENKPTJY-UHFFFAOYSA-N
XLogP0.95
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbamoyl-2-chloroanilino)-4-methylpentanoic acid
CID 55182349
2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
CID 103237265
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
2-(4-bromo-2,3-dichloroanilino)-3-methoxypropanoic acid
CID 107791298
2-(5-bromo-2-carbamoylanilino)-3-methoxypropanoic acid
CID 114901138
4-[(2-amino-3-methoxypropanoyl)amino]-3-chlorobenzoic acid
CID 81089429
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
3-chloro-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzoic acid
CID 106162697
2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid
CID 103236307
2-(4,5-dichloro-2-nitroanilino)-3-methoxypropanoic acid
CID 81078952
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid?
The IUPAC name of 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid (CID 81078412) is 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid is COCC(Nc1ccc(C(N)=O)cc1Cl)C(=O)O.
What is the InChIKey of 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid?
The InChIKey is ZQAJEYSENKPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-18-5-9(11(16)17)14-8-3-2-6(10(13)15)4-7(8)12/h2-4,9,14H,5H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid?
2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid has a molecular weight of 272.69 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid is sourced from PubChem (CID 81078412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).