2-(4-bromo-3-methoxyanilino)acetic acid

C9H10BrNO3 — CID 82868181

IUPAC2-(4-bromo-3-methoxyanilino)acetic acid
SMILESCOc1cc(NCC(=O)O)ccc1Br
InChIInChI=1S/C9H10BrNO3/c1-14-8-4-6(2-3-7(8)10)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyQFQBPXNLZSHHJZ-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-bromo-3-methoxyanilino)acetic acid

2-(4-bromo-3-methoxyanilino)acetic acid (PubChem CID 82868181) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyanilino)acetic acid
PubChem CID82868181
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-(4-bromo-3-methoxyanilino)acetic acid
SMILESCOc1cc(NCC(=O)O)ccc1Br
InChIInChI=1S/C9H10BrNO3/c1-14-8-4-6(2-3-7(8)10)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyQFQBPXNLZSHHJZ-UHFFFAOYSA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197
3-(4-bromo-3-methoxyanilino)-2-methylpropanoic acid
CID 82867283
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
CID 82867694
2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878
2-acetamido-3-(4-bromo-3-methoxyanilino)propanoic acid
CID 82867449
3-(4-bromo-3-methoxyanilino)propan-1-ol
CID 80526981
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
4-[(4-bromo-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 82859610

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyanilino)acetic acid?
The IUPAC name of 2-(4-bromo-3-methoxyanilino)acetic acid (CID 82868181) is 2-(4-bromo-3-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(4-bromo-3-methoxyanilino)acetic acid?
The canonical SMILES for 2-(4-bromo-3-methoxyanilino)acetic acid is COc1cc(NCC(=O)O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyanilino)acetic acid?
The InChIKey is QFQBPXNLZSHHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-14-8-4-6(2-3-7(8)10)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-3-methoxyanilino)acetic acid?
2-(4-bromo-3-methoxyanilino)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyanilino)acetic acid is sourced from PubChem (CID 82868181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).