2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid

C13H16N4O4 — CID 18767606

IUPAC2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O
InChIInChI=1S/C13H16N4O4/c1-2-3-4-10(13(20)21)15-12(19)9-6-5-8(16-17-14)7-11(9)18/h5-7,10,18H,2-4H2,1H3,(H,15,19)(H,20,21)
InChIKeyVTOQMXWJJGFDHL-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.71
Rot. Bonds7

About 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid

2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid (PubChem CID 18767606) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid
PubChem CID18767606
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O
InChIInChI=1S/C13H16N4O4/c1-2-3-4-10(13(20)21)15-12(19)9-6-5-8(16-17-14)7-11(9)18/h5-7,10,18H,2-4H2,1H3,(H,15,19)(H,20,21)
InChIKeyVTOQMXWJJGFDHL-UHFFFAOYSA-N
XLogP2.71
TPSA135.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
(2S)-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]hexanoic acid
CID 107144807
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143

Frequently Asked Questions

What is the IUPAC name of 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid (CID 18767606) is 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O.
What is the InChIKey of 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid?
The InChIKey is VTOQMXWJJGFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-2-3-4-10(13(20)21)15-12(19)9-6-5-8(16-17-14)7-11(9)18/h5-7,10,18H,2-4H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid?
2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid has a molecular weight of 292.30 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 18767606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).