2-(1-phenylethylamino)propanoic acid;hydrochloride

C11H16ClNO2 — CID 75479950

IUPAC2-(1-phenylethylamino)propanoic acid;hydrochloride
SMILESCC(NC(C)c1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(12-9(2)11(13)14)10-6-4-3-5-7-10;/h3-9,12H,1-2H3,(H,13,14);1H
InChIKeyCDPBILCKFQASGP-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.23
Rot. Bonds4

About 2-(1-phenylethylamino)propanoic acid;hydrochloride

2-(1-phenylethylamino)propanoic acid;hydrochloride (PubChem CID 75479950) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(1-phenylethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-phenylethylamino)propanoic acid;hydrochloride
PubChem CID75479950
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(1-phenylethylamino)propanoic acid;hydrochloride
SMILESCC(NC(C)c1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(12-9(2)11(13)14)10-6-4-3-5-7-10;/h3-9,12H,1-2H3,(H,13,14);1H
InChIKeyCDPBILCKFQASGP-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-phenylethylamino)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

1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
CID 155432915
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
CID 61499506
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(1-phenylethylamino)propanoic acid;hydrochloride (CID 75479950) is 2-(1-phenylethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(1-phenylethylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(1-phenylethylamino)propanoic acid;hydrochloride is CC(NC(C)c1ccccc1)C(=O)O.Cl.
What is the InChIKey of 2-(1-phenylethylamino)propanoic acid;hydrochloride?
The InChIKey is CDPBILCKFQASGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-8(12-9(2)11(13)14)10-6-4-3-5-7-10;/h3-9,12H,1-2H3,(H,13,14);1H.
What are the key properties of 2-(1-phenylethylamino)propanoic acid;hydrochloride?
2-(1-phenylethylamino)propanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 75479950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).