2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid

C13H16BrNO4 — CID 107729294

IUPAC2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(Br)ccc1O)C(=O)O
InChIInChI=1S/C13H16BrNO4/c1-2-3-4-10(13(18)19)15-12(17)9-7-8(14)5-6-11(9)16/h5-7,10,16H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyWJBLKIHLSAQROQ-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.53
Rot. Bonds6

About 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid

2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid (PubChem CID 107729294) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
PubChem CID107729294
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(Br)ccc1O)C(=O)O
InChIInChI=1S/C13H16BrNO4/c1-2-3-4-10(13(18)19)15-12(17)9-7-8(14)5-6-11(9)16/h5-7,10,16H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyWJBLKIHLSAQROQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
2-[(5-bromo-2-iodobenzoyl)amino]hexanoic acid
CID 43387033
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
2-[(2,5-dibromobenzoyl)amino]pentanedioic acid
CID 114367907
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid (CID 107729294) is 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1cc(Br)ccc1O)C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid?
The InChIKey is WJBLKIHLSAQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-2-3-4-10(13(18)19)15-12(17)9-7-8(14)5-6-11(9)16/h5-7,10,16H,2-4H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid?
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid has a molecular weight of 330.18 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 107729294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).