(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride

C10H14ClNO3 — CID 56845306

IUPAC(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
SMILESCN[C@H](Cc1ccc(O)cc1)C(=O)O.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7;/h2-5,9,11-12H,6H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyLIDVIUGMMFTRSD-SBSPUUFOSA-N
MW231.68 g/mol
LogP1.03
Rot. Bonds4

About (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride

(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride (PubChem CID 56845306) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
PubChem CID56845306
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
SMILESCN[C@H](Cc1ccc(O)cc1)C(=O)O.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7;/h2-5,9,11-12H,6H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyLIDVIUGMMFTRSD-SBSPUUFOSA-N
XLogP1.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(4-hydroxyphenyl)-2-(methylamino)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

azane;3-(4-hydroxyphenyl)-2-(methylamino)propanamide;3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 158661642
3-(4-bromophenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 167716194
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;N-pentylhydroxylamine
CID 174361704
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
(2S)-3-(4-bromophenyl)-2-(methylamino)propanoic acid;sulfane
CID 160604055
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
(2S)-3-[4-[(4-formylphenyl)methyl]phenyl]-2-(methylamino)propanoic acid
CID 87405104
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-3-(methylamino)propanoyl]amino]propanoic acid
CID 103870739

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride?
The IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride (CID 56845306) is (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride is CN[C@H](Cc1ccc(O)cc1)C(=O)O.Cl.
What is the InChIKey of (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride?
The InChIKey is LIDVIUGMMFTRSD-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7;/h2-5,9,11-12H,6H2,1H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride?
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 56845306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).