2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid

C10H14N2O2 — CID 55297245

IUPAC2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
SMILESCc1cc(C)c(N)c(C(N)C(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-5-3-6(2)8(11)7(4-5)9(12)10(13)14/h3-4,9H,11-12H2,1-2H3,(H,13,14)
InChIKeyUVLGTCJGBZGKKN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid

2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid (PubChem CID 55297245) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
PubChem CID55297245
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
SMILESCc1cc(C)c(N)c(C(N)C(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-5-3-6(2)8(11)7(4-5)9(12)10(13)14/h3-4,9H,11-12H2,1-2H3,(H,13,14)
InChIKeyUVLGTCJGBZGKKN-UHFFFAOYSA-N
XLogP0.97
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-(2-amino-3,5-dimethylphenyl)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-amino-3,5-dimethylphenyl)-4,4-dimethylpentanoic acid
CID 106987402
2-amino-2-(4-amino-3,5-dimethylphenyl)acetic acid
CID 55297559
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
2-(2-amino-3,5-dimethylphenyl)-3-ethyl-4-methylpentanoic acid
CID 106987601
3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
CID 171868212
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
(2S)-2-amino-2-(2-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 66512366
2-amino-2-(6-amino-4-methyl-3-pyridinyl)acetic acid
CID 55295400
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222
ethyl 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171866152
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid (CID 55297245) is 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid is Cc1cc(C)c(N)c(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid?
The InChIKey is UVLGTCJGBZGKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5-3-6(2)8(11)7(4-5)9(12)10(13)14/h3-4,9H,11-12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid?
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 55297245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).