4-(2-azidophenyl)butylcarbamic acid

C11H14N4O2 — CID 121416300

IUPAC4-(2-azidophenyl)butylcarbamic acid
SMILES[N-]=[N+]=Nc1ccccc1CCCCNC(=O)O
InChIInChI=1S/C11H14N4O2/c12-15-14-10-7-2-1-5-9(10)6-3-4-8-13-11(16)17/h1-2,5,7,13H,3-4,6,8H2,(H,16,17)
InChIKeyWGSUJBZPFXHWDV-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.22
Rot. Bonds6

About 4-(2-azidophenyl)butylcarbamic acid

4-(2-azidophenyl)butylcarbamic acid (PubChem CID 121416300) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(2-azidophenyl)butylcarbamic acid.

Molecular Properties

Compound Name4-(2-azidophenyl)butylcarbamic acid
PubChem CID121416300
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-(2-azidophenyl)butylcarbamic acid
SMILES[N-]=[N+]=Nc1ccccc1CCCCNC(=O)O
InChIInChI=1S/C11H14N4O2/c12-15-14-10-7-2-1-5-9(10)6-3-4-8-13-11(16)17/h1-2,5,7,13H,3-4,6,8H2,(H,16,17)
InChIKeyWGSUJBZPFXHWDV-UHFFFAOYSA-N
XLogP3.22
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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(2S)-2-amino-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid;hydrochloride
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8-phenyloctylcarbamic acid
CID 90271205
1-azido-2-(3-benzylsulfanylpropyl)benzene
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4-[2-(2-methylphenoxy)phenyl]butylcarbamic acid
CID 91257904
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile
CID 10318534
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
(4R,5R)-4-[(2-azidophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-N-(4-phenylbutyl)-5H-1,3-oxazole-4-carboxamide
CID 23891846
2-azido-N-(2-azidobenzoyl)benzamide
CID 15319919

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidophenyl)butylcarbamic acid?
The IUPAC name of 4-(2-azidophenyl)butylcarbamic acid (CID 121416300) is 4-(2-azidophenyl)butylcarbamic acid.
What is the SMILES notation for 4-(2-azidophenyl)butylcarbamic acid?
The canonical SMILES for 4-(2-azidophenyl)butylcarbamic acid is [N-]=[N+]=Nc1ccccc1CCCCNC(=O)O.
What is the InChIKey of 4-(2-azidophenyl)butylcarbamic acid?
The InChIKey is WGSUJBZPFXHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-15-14-10-7-2-1-5-9(10)6-3-4-8-13-11(16)17/h1-2,5,7,13H,3-4,6,8H2,(H,16,17).
What are the key properties of 4-(2-azidophenyl)butylcarbamic acid?
4-(2-azidophenyl)butylcarbamic acid has a molecular weight of 234.26 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidophenyl)butylcarbamic acid is sourced from PubChem (CID 121416300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).