3-(1-aminoethylideneamino)benzoic acid

C9H10N2O2 — CID 10775025

IUPAC3-(1-aminoethylideneamino)benzoic acid
SMILESC/C(N)=N\c1cccc(C(=O)O)c1
InChIInChI=1S/C9H10N2O2/c1-6(10)11-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H2,10,11)(H,12,13)
InChIKeyXSQLIHJVZYJHJL-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.39
Rot. Bonds2

About 3-(1-aminoethylideneamino)benzoic acid

3-(1-aminoethylideneamino)benzoic acid (PubChem CID 10775025) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(1-aminoethylideneamino)benzoic acid.

Molecular Properties

Compound Name3-(1-aminoethylideneamino)benzoic acid
PubChem CID10775025
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-(1-aminoethylideneamino)benzoic acid
SMILESC/C(N)=N\c1cccc(C(=O)O)c1
InChIInChI=1S/C9H10N2O2/c1-6(10)11-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H2,10,11)(H,12,13)
InChIKeyXSQLIHJVZYJHJL-UHFFFAOYSA-N
XLogP1.39
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(aminodiazenyl)benzoic acid
CID 147903566
3-phenyldiazenylbenzoic acid
CID 555783
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzoic acid
CID 125449010
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N'-(3-hydroxyphenyl)ethanimidamide
CID 10681010
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
2-[3-[4-(diaminomethylideneamino)benzoyl]phenyl]guanidine
CID 90644413
3-[3-(3-carboxyphenyl)but-2-en-2-yl]benzoic acid
CID 123649222
3-carbamoylbenzoic acid
CID 3014284
(4-acetamido-2-hydroxyphenyl)arsonic acid;3-(diaminomethylideneamino)benzoic acid
CID 174647992
3-(3-carboxybenzoyl)benzoic acid
CID 754396
3-[(1-amino-2-methylpropylidene)amino]benzamide
CID 107811864

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethylideneamino)benzoic acid?
The IUPAC name of 3-(1-aminoethylideneamino)benzoic acid (CID 10775025) is 3-(1-aminoethylideneamino)benzoic acid.
What is the SMILES notation for 3-(1-aminoethylideneamino)benzoic acid?
The canonical SMILES for 3-(1-aminoethylideneamino)benzoic acid is C/C(N)=N\c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(1-aminoethylideneamino)benzoic acid?
The InChIKey is XSQLIHJVZYJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(10)11-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H2,10,11)(H,12,13).
What are the key properties of 3-(1-aminoethylideneamino)benzoic acid?
3-(1-aminoethylideneamino)benzoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethylideneamino)benzoic acid is sourced from PubChem (CID 10775025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).