3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid

C9H12N2O3 — CID 55269173

IUPAC3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
SMILESNc1ccc(O)cc1C(N)CC(=O)O
InChIInChI=1S/C9H12N2O3/c10-7-2-1-5(12)3-6(7)8(11)4-9(13)14/h1-3,8,12H,4,10-11H2,(H,13,14)
InChIKeyDXGZHJDWZMBNGL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.45
Rot. Bonds3

About 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid

3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid (PubChem CID 55269173) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
PubChem CID55269173
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
SMILESNc1ccc(O)cc1C(N)CC(=O)O
InChIInChI=1S/C9H12N2O3/c10-7-2-1-5(12)3-6(7)8(11)4-9(13)14/h1-3,8,12H,4,10-11H2,(H,13,14)
InChIKeyDXGZHJDWZMBNGL-UHFFFAOYSA-N
XLogP0.45
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic 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

3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
4-amino-3-(1,2-diaminoethyl)phenol
CID 55283127
4-amino-3-(1-aminopropyl)phenol
CID 55282942
(3S)-3-amino-3-(2,3-diaminophenyl)propanoic acid
CID 55268840
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
4-(2-amino-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877449
(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
CID 130725471
(3S)-3-amino-3-(2-hydroxy-5-sulfanylphenyl)propanoic acid
CID 130744380
(3R)-3-amino-3-(2-hydroxy-4-sulfanylphenyl)propanoic acid
CID 131038262

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid (CID 55269173) is 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid is Nc1ccc(O)cc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid?
The InChIKey is DXGZHJDWZMBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-7-2-1-5(12)3-6(7)8(11)4-9(13)14/h1-3,8,12H,4,10-11H2,(H,13,14).
What are the key properties of 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid?
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 55269173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).