(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride

C11H16Cl2N2O2 — CID 67666969

IUPAC(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
SMILESCl.NC(=O)[C@H](CO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2.ClH/c12-9-3-1-8(2-4-9)5-6-14-10(7-15)11(13)16;/h1-4,10,14-15H,5-7H2,(H2,13,16);1H/t10-;/m0./s1
InChIKeyQVAHVLWTQPJAJD-PPHPATTJSA-N
MW279.17 g/mol
LogP0.74
Rot. Bonds6

About (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride

(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride (PubChem CID 67666969) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
PubChem CID67666969
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
SMILESCl.NC(=O)[C@H](CO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2.ClH/c12-9-3-1-8(2-4-9)5-6-14-10(7-15)11(13)16;/h1-4,10,14-15H,5-7H2,(H2,13,16);1H/t10-;/m0./s1
InChIKeyQVAHVLWTQPJAJD-PPHPATTJSA-N
XLogP0.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
CID 23302048
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
(2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 61381103
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
(4S)-5-amino-4-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 67332840
1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
CID 121016044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride?
The IUPAC name of (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride (CID 67666969) is (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride?
The canonical SMILES for (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride is Cl.NC(=O)[C@H](CO)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride?
The InChIKey is QVAHVLWTQPJAJD-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15ClN2O2.ClH/c12-9-3-1-8(2-4-9)5-6-14-10(7-15)11(13)16;/h1-4,10,14-15H,5-7H2,(H2,13,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride?
(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride is sourced from PubChem (CID 67666969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).