2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride

C11H14ClNO4 — CID 73014170

IUPAC2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(CC(=O)O)cc1)C(=O)O
InChIInChI=1S/C11H13NO4.ClH/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16);1H
InChIKeyUHQUHPFJRUJHRH-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.69
Rot. Bonds5

About 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride

2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride (PubChem CID 73014170) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
PubChem CID73014170
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(CC(=O)O)cc1)C(=O)O
InChIInChI=1S/C11H13NO4.ClH/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16);1H
InChIKeyUHQUHPFJRUJHRH-UHFFFAOYSA-N
XLogP0.69
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[4-(carboxymethyl)phenyl]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

(2S)-2-amino-3-[4-(2-amino-2-oxoethyl)phenyl]propanoic acid
CID 169025021
2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 138399318
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride (CID 73014170) is 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride is Cl.NC(Cc1ccc(CC(=O)O)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is UHQUHPFJRUJHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.ClH/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16);1H.
What are the key properties of 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride?
2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 73014170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).