(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride

C12H19ClN2O2 — CID 119297040

IUPAC(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(O)c1ccc(CNC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8(13)12(16)14-7-10-3-5-11(6-4-10)9(2)15;/h3-6,8-9,15H,7,13H2,1-2H3,(H,14,16);1H/t8-,9?;/m1./s1
InChIKeyAHNDZXYSIYTGFI-URIXSHMWSA-N
MW258.75 g/mol
LogP1.13
Rot. Bonds4

About (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119297040) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119297040
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(O)c1ccc(CNC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8(13)12(16)14-7-10-3-5-11(6-4-10)9(2)15;/h3-6,8-9,15H,7,13H2,1-2H3,(H,14,16);1H/t8-,9?;/m1./s1
InChIKeyAHNDZXYSIYTGFI-URIXSHMWSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;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-N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119297048
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride (CID 119297040) is (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride is CC(O)c1ccc(CNC(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is AHNDZXYSIYTGFI-URIXSHMWSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-8(13)12(16)14-7-10-3-5-11(6-4-10)9(2)15;/h3-6,8-9,15H,7,13H2,1-2H3,(H,14,16);1H/t8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119297040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).