2-[(4-bromo-3-methylbenzoyl)amino]acetic acid

C10H10BrNO3 — CID 7303366

IUPAC2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)ccc1Br
InChIInChI=1S/C10H10BrNO3/c1-6-4-7(2-3-8(6)11)10(15)12-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyMMKLYZSCPITVCO-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.57
Rot. Bonds3

About 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid

2-[(4-bromo-3-methylbenzoyl)amino]acetic acid (PubChem CID 7303366) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
PubChem CID7303366
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)ccc1Br
InChIInChI=1S/C10H10BrNO3/c1-6-4-7(2-3-8(6)11)10(15)12-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyMMKLYZSCPITVCO-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

4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
CID 112706643
4-[(4-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 113396656
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506
4-[(4-bromo-3-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152378
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid (CID 7303366) is 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid is Cc1cc(C(=O)NCC(=O)O)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid?
The InChIKey is MMKLYZSCPITVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6-4-7(2-3-8(6)11)10(15)12-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-bromo-3-methylbenzoyl)amino]acetic acid?
2-[(4-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-[(4-bromo-3-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 7303366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).