propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride

C14H21ClN2O3 — CID 170693109

IUPACpropan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride
SMILESCC(=O)Nc1ccc(C[C@H](N)C(=O)OC(C)C)cc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-9(2)19-14(18)13(15)8-11-4-6-12(7-5-11)16-10(3)17;/h4-7,9,13H,8,15H2,1-3H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyRERZFLWWMGJHEJ-ZOWNYOTGSA-N
MW300.79 g/mol
LogP1.89
Rot. Bonds5

About propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride

propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride (PubChem CID 170693109) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride
PubChem CID170693109
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Namepropan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride
SMILESCC(=O)Nc1ccc(C[C@H](N)C(=O)OC(C)C)cc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-9(2)19-14(18)13(15)8-11-4-6-12(7-5-11)16-10(3)17;/h4-7,9,13H,8,15H2,1-3H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyRERZFLWWMGJHEJ-ZOWNYOTGSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrochloride
CID 21120343
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
methyl (2S)-2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 23383932
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
CID 157140877
propan-2-yl (2R)-2-amino-3-[3,4-bis(propan-2-yloxycarbonyloxymethoxy)phenyl]propanoate
CID 170126404
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
methyl 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 14284326
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride?
The IUPAC name of propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride (CID 170693109) is propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride?
The canonical SMILES for propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride is CC(=O)Nc1ccc(C[C@H](N)C(=O)OC(C)C)cc1.Cl.
What is the InChIKey of propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride?
The InChIKey is RERZFLWWMGJHEJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-9(2)19-14(18)13(15)8-11-4-6-12(7-5-11)16-10(3)17;/h4-7,9,13H,8,15H2,1-3H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride?
propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 170693109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).