4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid

C9H11N3O2 — CID 145139232

IUPAC4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid
SMILESN/C=C\N(N)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11N3O2/c10-5-6-12(11)8-3-1-7(2-4-8)9(13)14/h1-6H,10-11H2,(H,13,14)/b6-5-
InChIKeySRXYWOUHYUTKCG-WAYWQWQTSA-N
MW193.21 g/mol
LogP0.49
Rot. Bonds3

About 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid

4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid (PubChem CID 145139232) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid
PubChem CID145139232
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid
SMILESN/C=C\N(N)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11N3O2/c10-5-6-12(11)8-3-1-7(2-4-8)9(13)14/h1-6H,10-11H2,(H,13,14)/b6-5-
InChIKeySRXYWOUHYUTKCG-WAYWQWQTSA-N
XLogP0.49
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[amino-[(Z)-2-aminoethenyl]amino]pyridine-3-carboxylic acid
CID 89471877
2-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-2-methoxyacetic acid
CID 138636339
4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid
CID 170187308
terephthalic acid
CID 160582437
4-[amino(nitro)amino]benzoic acid
CID 169444625
bismuthane;terephthalic acid
CID 173299583
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309
CID 69397190
CID 69397190
azane;N,N-dimethylformamide;terephthalic acid
CID 174728158
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
4-[carbamoyl(sulfanyl)amino]benzoic acid
CID 57145300

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid?
The IUPAC name of 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid (CID 145139232) is 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid.
What is the SMILES notation for 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid?
The canonical SMILES for 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid is N/C=C\N(N)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid?
The InChIKey is SRXYWOUHYUTKCG-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-5-6-12(11)8-3-1-7(2-4-8)9(13)14/h1-6H,10-11H2,(H,13,14)/b6-5-.
What are the key properties of 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid?
4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid has a molecular weight of 193.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid is sourced from PubChem (CID 145139232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).