(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride

C9H13ClN2O3 — CID 70213265

IUPAC(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride
SMILESCl.Nc1cc(C[C@H](N)C(=O)O)ccc1O
InChIInChI=1S/C9H12N2O3.ClH/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;/h1-3,7,12H,4,10-11H2,(H,13,14);1H/t7-;/m0./s1
InChIKeyLCUTUZRATMOQPT-FJXQXJEOSA-N
MW232.67 g/mol
LogP0.35
Rot. Bonds3

About (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride

(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride (PubChem CID 70213265) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride
PubChem CID70213265
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride
SMILESCl.Nc1cc(C[C@H](N)C(=O)O)ccc1O
InChIInChI=1S/C9H12N2O3.ClH/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;/h1-3,7,12H,4,10-11H2,(H,13,14);1H/t7-;/m0./s1
InChIKeyLCUTUZRATMOQPT-FJXQXJEOSA-N
XLogP0.35
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride 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-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
(2S)-2-amino-3-[3-amino-4-[(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 91296198
CID 175932180
CID 175932180
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
CID 55297813
2-amino-3-(3,5-diamino-4-hydroxyphenyl)propanoic acid
CID 57367824
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 89154660
(2S)-2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 10081872
2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 138399318

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride (CID 70213265) is (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride is Cl.Nc1cc(C[C@H](N)C(=O)O)ccc1O.
What is the InChIKey of (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride?
The InChIKey is LCUTUZRATMOQPT-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12N2O3.ClH/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;/h1-3,7,12H,4,10-11H2,(H,13,14);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride?
(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of 0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 70213265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).