3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid

C10H12N2O2 — CID 143217809

IUPAC3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid
SMILESC/C=C\N(N)c1cccc(C(=O)O)c1
InChIInChI=1S/C10H12N2O2/c1-2-6-12(11)9-5-3-4-8(7-9)10(13)14/h2-7H,11H2,1H3,(H,13,14)/b6-2-
InChIKeyQXGPDJXTZRRROZ-KXFIGUGUSA-N
MW192.22 g/mol
LogP1.60
Rot. Bonds3

About 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid

3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid (PubChem CID 143217809) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid
PubChem CID143217809
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid
SMILESC/C=C\N(N)c1cccc(C(=O)O)c1
InChIInChI=1S/C10H12N2O2/c1-2-6-12(11)9-5-3-4-8(7-9)10(13)14/h2-7H,11H2,1H3,(H,13,14)/b6-2-
InChIKeyQXGPDJXTZRRROZ-KXFIGUGUSA-N
XLogP1.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[amino(formyl)amino]benzoic acid
CID 174600142
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
3-(dimethylamino)benzoic acid;1H-pyrrole
CID 174771753
3-[methyl(pyrimidin-2-yl)amino]benzoic acid
CID 82512926
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
3-aminobenzoic acid;azane
CID 159954068

Frequently Asked Questions

What is the IUPAC name of 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid?
The IUPAC name of 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid (CID 143217809) is 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid.
What is the SMILES notation for 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid?
The canonical SMILES for 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid is C/C=C\N(N)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid?
The InChIKey is QXGPDJXTZRRROZ-KXFIGUGUSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-6-12(11)9-5-3-4-8(7-9)10(13)14/h2-7H,11H2,1H3,(H,13,14)/b6-2-.
What are the key properties of 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid?
3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid has a molecular weight of 192.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[(Z)-prop-1-enyl]amino]benzoic acid is sourced from PubChem (CID 143217809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).