2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid

C17H18N2O2 — CID 62317637

IUPAC2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
SMILESNc1ccc(NC2CCc3ccccc3C2)cc1C(=O)O
InChIInChI=1S/C17H18N2O2/c18-16-8-7-14(10-15(16)17(20)21)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,19H,5-6,9,18H2,(H,20,21)
InChIKeySOGHZOWSIPWWEX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.94
Rot. Bonds3

About 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid

2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid (PubChem CID 62317637) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
PubChem CID62317637
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
SMILESNc1ccc(NC2CCc3ccccc3C2)cc1C(=O)O
InChIInChI=1S/C17H18N2O2/c18-16-8-7-14(10-15(16)17(20)21)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,19H,5-6,9,18H2,(H,20,21)
InChIKeySOGHZOWSIPWWEX-UHFFFAOYSA-N
XLogP2.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)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-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106197594
methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
CID 43774418
6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
CID 79825418
4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxalin-6-amine
CID 60943397
methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
CID 94014303
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carboxamide
CID 60704921

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid?
The IUPAC name of 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid (CID 62317637) is 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid is Nc1ccc(NC2CCc3ccccc3C2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid?
The InChIKey is SOGHZOWSIPWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-16-8-7-14(10-15(16)17(20)21)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,19H,5-6,9,18H2,(H,20,21).
What are the key properties of 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid?
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid is sourced from PubChem (CID 62317637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).