4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid

C13H16BrNO3 — CID 65308129

IUPAC4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
SMILESCc1ccc(Br)cc1C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C13H16BrNO3/c1-8-3-5-10(14)7-11(8)13(18)15-9(2)4-6-12(16)17/h3,5,7,9H,4,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOXHKIOFDPBOBFZ-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.74
Rot. Bonds5

About 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid

4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid (PubChem CID 65308129) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
PubChem CID65308129
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
SMILESCc1ccc(Br)cc1C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C13H16BrNO3/c1-8-3-5-10(14)7-11(8)13(18)15-9(2)4-6-12(16)17/h3,5,7,9H,4,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOXHKIOFDPBOBFZ-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
CID 103932811
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid (CID 65308129) is 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid is Cc1ccc(Br)cc1C(=O)NC(C)CCC(=O)O.
What is the InChIKey of 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid?
The InChIKey is OXHKIOFDPBOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-8-3-5-10(14)7-11(8)13(18)15-9(2)4-6-12(16)17/h3,5,7,9H,4,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid?
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid has a molecular weight of 314.18 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 65308129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).