2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid

C13H16BrNO4 — CID 65219579

IUPAC2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(Br)cc1O)C(=O)O
InChIInChI=1S/C13H16BrNO4/c1-2-3-8(13(18)19)7-15-12(17)10-5-4-9(14)6-11(10)16/h4-6,8,16H,2-3,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyOHOYSLPWVDLMBC-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.39
Rot. Bonds6

About 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid

2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid (PubChem CID 65219579) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid
PubChem CID65219579
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(Br)cc1O)C(=O)O
InChIInChI=1S/C13H16BrNO4/c1-2-3-8(13(18)19)7-15-12(17)10-5-4-9(14)6-11(10)16/h4-6,8,16H,2-3,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyOHOYSLPWVDLMBC-UHFFFAOYSA-N
XLogP2.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833831
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
2-[[(5-bromo-2-iodobenzoyl)amino]methyl]butanoic acid
CID 65219422
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
2-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]pentanoic acid
CID 65218696
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 65218826
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid (CID 65219579) is 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccc(Br)cc1O)C(=O)O.
What is the InChIKey of 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid?
The InChIKey is OHOYSLPWVDLMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-2-3-8(13(18)19)7-15-12(17)10-5-4-9(14)6-11(10)16/h4-6,8,16H,2-3,7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid?
2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid has a molecular weight of 330.18 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65219579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).