2-(4-azidoanilino)propanoic acid

C9H10N4O2 — CID 90146242

IUPAC2-(4-azidoanilino)propanoic acid
SMILESCC(Nc1ccc(N=[N+]=[N-])cc1)C(=O)O
InChIInChI=1S/C9H10N4O2/c1-6(9(14)15)11-7-2-4-8(5-3-7)12-13-10/h2-6,11H,1H3,(H,14,15)
InChIKeyIMKUYKPJKSOBAJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-azidoanilino)propanoic acid

2-(4-azidoanilino)propanoic acid (PubChem CID 90146242) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(4-azidoanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-azidoanilino)propanoic acid
PubChem CID90146242
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(4-azidoanilino)propanoic acid
SMILESCC(Nc1ccc(N=[N+]=[N-])cc1)C(=O)O
InChIInChI=1S/C9H10N4O2/c1-6(9(14)15)11-7-2-4-8(5-3-7)12-13-10/h2-6,11H,1H3,(H,14,15)
InChIKeyIMKUYKPJKSOBAJ-UHFFFAOYSA-N
XLogP2.51
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(4-azidophenyl)acetamide
CID 4315161
N-(4-azidophenyl)-2-methylbutanamide
CID 58616737
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
2-anilinopropanoic acid;hydrochloride
CID 19096756
methyl N-(4-azidophenyl)carbamate
CID 142621312
(2R)-2-(3,4-dihydroxyanilino)propanoic acid
CID 69224592
2-(4-benzoylanilino)propanoic acid
CID 23202897
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
(2S)-2-(4-sulfoanilino)propanoic acid
CID 87320516
[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium
CID 175473282

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidoanilino)propanoic acid?
The IUPAC name of 2-(4-azidoanilino)propanoic acid (CID 90146242) is 2-(4-azidoanilino)propanoic acid.
What is the SMILES notation for 2-(4-azidoanilino)propanoic acid?
The canonical SMILES for 2-(4-azidoanilino)propanoic acid is CC(Nc1ccc(N=[N+]=[N-])cc1)C(=O)O.
What is the InChIKey of 2-(4-azidoanilino)propanoic acid?
The InChIKey is IMKUYKPJKSOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(9(14)15)11-7-2-4-8(5-3-7)12-13-10/h2-6,11H,1H3,(H,14,15).
What are the key properties of 2-(4-azidoanilino)propanoic acid?
2-(4-azidoanilino)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidoanilino)propanoic acid is sourced from PubChem (CID 90146242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).