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

C10H11BrClNO3 — CID 103237265

IUPAC2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
SMILESCOCC(Nc1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H11BrClNO3/c1-16-5-9(10(14)15)13-8-3-2-6(11)4-7(8)12/h2-4,9,13H,5H2,1H3,(H,14,15)
InChIKeyYGMQWOSZOLIHQR-UHFFFAOYSA-N
MW308.56 g/mol
LogP2.61
Rot. Bonds5

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

2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid (PubChem CID 103237265) has the molecular formula C10H11BrClNO3 and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
PubChem CID103237265
Molecular FormulaC10H11BrClNO3
Molecular Weight308.56 g/mol
Exact Mass306.96
IUPAC Name2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
SMILESCOCC(Nc1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H11BrClNO3/c1-16-5-9(10(14)15)13-8-3-2-6(11)4-7(8)12/h2-4,9,13H,5H2,1H3,(H,14,15)
InChIKeyYGMQWOSZOLIHQR-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
CID 81078412
2-(4-bromo-2-cyanoanilino)-3-methoxypropanoic acid
CID 114890227
2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480249
methyl 2-(4-bromo-2-chloroanilino)butanoate
CID 115352382
2-(4-bromo-2,3-dichloroanilino)-3-methoxypropanoic acid
CID 107791298
2-(5-bromo-2-carbamoylanilino)-3-methoxypropanoic acid
CID 114901138
2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081569
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
3-(4-bromo-2-chloroanilino)-2-methylbutanoic acid
CID 79392052
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid
CID 103236307
3-[(4-bromo-2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668651

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid?
The IUPAC name of 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid (CID 103237265) is 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid is COCC(Nc1ccc(Br)cc1Cl)C(=O)O.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid?
The InChIKey is YGMQWOSZOLIHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3/c1-16-5-9(10(14)15)13-8-3-2-6(11)4-7(8)12/h2-4,9,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid?
2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid has a molecular weight of 308.56 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid is sourced from PubChem (CID 103237265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).