2-[(2-bromo-3-methylbenzoyl)amino]acetic acid

C10H10BrNO3 — CID 106703070

IUPAC2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
SMILESCc1cccc(C(=O)NCC(=O)O)c1Br
InChIInChI=1S/C10H10BrNO3/c1-6-3-2-4-7(9(6)11)10(15)12-5-8(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyCHWDAYIKQBCAIA-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.57
Rot. Bonds3

About 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid

2-[(2-bromo-3-methylbenzoyl)amino]acetic acid (PubChem CID 106703070) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
PubChem CID106703070
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
SMILESCc1cccc(C(=O)NCC(=O)O)c1Br
InChIInChI=1S/C10H10BrNO3/c1-6-3-2-4-7(9(6)11)10(15)12-5-8(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyCHWDAYIKQBCAIA-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
4-[(2-bromo-3-methylbenzoyl)amino]-2-methylbutanoic acid
CID 114023739
2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
CID 103855530
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
3-[(2-bromo-3-methylbenzoyl)amino]pentanoic acid
CID 107981531
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994
2-bromo-N-[(2S)-3-hydroxy-2-phenylpropyl]-3-methylbenzamide
CID 124572255
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
CID 106254833

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid (CID 106703070) is 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid is Cc1cccc(C(=O)NCC(=O)O)c1Br.
What is the InChIKey of 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid?
The InChIKey is CHWDAYIKQBCAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6-3-2-4-7(9(6)11)10(15)12-5-8(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid?
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid has a molecular weight of 272.10 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 106703070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).