2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid

C11H12N4O5 — CID 168986605

IUPAC2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid
SMILES[N-]=[N+]=Nc1ccc(COC(=O)NCOCC(=O)O)cc1
InChIInChI=1S/C11H12N4O5/c12-15-14-9-3-1-8(2-4-9)5-20-11(18)13-7-19-6-10(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)
InChIKeyJXLQTDKLUAIOMJ-UHFFFAOYSA-N
MW280.24 g/mol
LogP1.91
Rot. Bonds7

About 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid

2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid (PubChem CID 168986605) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid
PubChem CID168986605
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid
SMILES[N-]=[N+]=Nc1ccc(COC(=O)NCOCC(=O)O)cc1
InChIInChI=1S/C11H12N4O5/c12-15-14-9-3-1-8(2-4-9)5-20-11(18)13-7-19-6-10(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)
InChIKeyJXLQTDKLUAIOMJ-UHFFFAOYSA-N
XLogP1.91
TPSA133.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-azidophenyl)methoxycarbonylamino]-2-methylpropanoic acid
CID 135300649
(2S)-2-amino-6-[(4-azidophenyl)methoxycarbonylamino]hexanoic acid;hydrochloride
CID 122605093
(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
CID 10662163
2-methylsulfonylsulfanylethyl 2-[(4-azidophenyl)methoxycarbonylamino]acetate
CID 58185174
(4-azidophenyl)methyl N-(4-fluorophenyl)sulfanylcarbamate
CID 155004586
3-[(4-azidophenyl)methoxycarbonylamino]-4-(tert-butyldisulfanyl)butanoic acid
CID 137375797
tert-butyl N-[6-[(4-azidophenyl)methoxycarbonylamino]hexan-2-yl]carbamate
CID 151486331
(2S)-2,6-diamino-7-[(4-azidophenyl)methoxy]-7-oxoheptanoic acid;hydrochloride
CID 145168958
(4-ethenylphenyl)methyl 4-azidobenzoate
CID 138593704
benzyl 2-(4-azidophenyl)-3-methylbutanoate
CID 12798026
(2R)-3-[(4-azidophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 132942303
2-[[[2-[[3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]methoxy]acetic acid
CID 170314630

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid?
The IUPAC name of 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid (CID 168986605) is 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid.
What is the SMILES notation for 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid?
The canonical SMILES for 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid is [N-]=[N+]=Nc1ccc(COC(=O)NCOCC(=O)O)cc1.
What is the InChIKey of 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid?
The InChIKey is JXLQTDKLUAIOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c12-15-14-9-3-1-8(2-4-9)5-20-11(18)13-7-19-6-10(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17).
What are the key properties of 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid?
2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid has a molecular weight of 280.24 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid is sourced from PubChem (CID 168986605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).