2-(2,3,5-triaminophenyl)acetic acid

C8H11N3O2 — CID 66873284

IUPAC2-(2,3,5-triaminophenyl)acetic acid
SMILESNc1cc(N)c(N)c(CC(=O)O)c1
InChIInChI=1S/C8H11N3O2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2,9-11H2,(H,12,13)
InChIKeyPXDRRTIWVMTWIR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.06
Rot. Bonds2

About 2-(2,3,5-triaminophenyl)acetic acid

2-(2,3,5-triaminophenyl)acetic acid (PubChem CID 66873284) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2,3,5-triaminophenyl)acetic acid.

Molecular Properties

Compound Name2-(2,3,5-triaminophenyl)acetic acid
PubChem CID66873284
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(2,3,5-triaminophenyl)acetic acid
SMILESNc1cc(N)c(N)c(CC(=O)O)c1
InChIInChI=1S/C8H11N3O2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2,9-11H2,(H,12,13)
InChIKeyPXDRRTIWVMTWIR-UHFFFAOYSA-N
XLogP0.06
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3,5-triaminophenyl)acetic 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-(2,3-diamino-5-methoxyphenyl)acetic acid
CID 171011380
2,3,5-triaminobenzoic acid
CID 18407375
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277558
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
2-[5-amino-2-(carbamothioylamino)phenyl]acetic acid
CID 91875473
2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
CID 150696668
2-(2,6-diamino-4-bromophenyl)acetic acid
CID 171014717
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2,6-diethylbenzene-1,4-diamine
CID 10154207
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-triaminophenyl)acetic acid?
The IUPAC name of 2-(2,3,5-triaminophenyl)acetic acid (CID 66873284) is 2-(2,3,5-triaminophenyl)acetic acid.
What is the SMILES notation for 2-(2,3,5-triaminophenyl)acetic acid?
The canonical SMILES for 2-(2,3,5-triaminophenyl)acetic acid is Nc1cc(N)c(N)c(CC(=O)O)c1.
What is the InChIKey of 2-(2,3,5-triaminophenyl)acetic acid?
The InChIKey is PXDRRTIWVMTWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2,9-11H2,(H,12,13).
What are the key properties of 2-(2,3,5-triaminophenyl)acetic acid?
2-(2,3,5-triaminophenyl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-triaminophenyl)acetic acid is sourced from PubChem (CID 66873284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).