2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid

C16H14N2O4 — CID 67351270

IUPAC2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid
SMILESNc1cccc(/C=C/c2cccc(N)c2C(=O)O)c1C(=O)O
InChIInChI=1S/C16H14N2O4/c17-11-5-1-3-9(13(11)15(19)20)7-8-10-4-2-6-12(18)14(10)16(21)22/h1-8H,17-18H2,(H,19,20)(H,21,22)/b8-7+
InChIKeyRFJNZKVMVPKTBG-BQYQJAHWSA-N
MW298.30 g/mol
LogP2.42
Rot. Bonds4

About 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid

2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid (PubChem CID 67351270) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid
PubChem CID67351270
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid
SMILESNc1cccc(/C=C/c2cccc(N)c2C(=O)O)c1C(=O)O
InChIInChI=1S/C16H14N2O4/c17-11-5-1-3-9(13(11)15(19)20)7-8-10-4-2-6-12(18)14(10)16(21)22/h1-8H,17-18H2,(H,19,20)(H,21,22)/b8-7+
InChIKeyRFJNZKVMVPKTBG-BQYQJAHWSA-N
XLogP2.42
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic 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-amino-6-bromobenzoic acid
CID 10560649
2-amino-6-iodobenzoic acid
CID 12761007
3-amino-2-carboxybenzoate
CID 58908240
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
3-(2,3-diaminophenyl)prop-2-enoic acid
CID 169460294
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine
CID 70561484
2-amino-6-(trifluoromethyl)benzoic acid;trihydrate
CID 44784805
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
2-amino-6-(1-chloroethyl)benzoic acid
CID 19612043
2-amino-6-anilinobenzoic acid
CID 67684436
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid?
The IUPAC name of 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid (CID 67351270) is 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid?
The canonical SMILES for 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid is Nc1cccc(/C=C/c2cccc(N)c2C(=O)O)c1C(=O)O.
What is the InChIKey of 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid?
The InChIKey is RFJNZKVMVPKTBG-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14N2O4/c17-11-5-1-3-9(13(11)15(19)20)7-8-10-4-2-6-12(18)14(10)16(21)22/h1-8H,17-18H2,(H,19,20)(H,21,22)/b8-7+.
What are the key properties of 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid?
2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 67351270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).