(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate

C11H14ClNO3 — CID 107825335

IUPAC(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate
SMILESN[C@@H](CCO)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(13)5-6-14/h1-4,10,14H,5-7,13H2/t10-/m0/s1
InChIKeyPPRAYNGHUOSLAQ-JTQLQIEISA-N
MW243.69 g/mol
LogP1.09
Rot. Bonds5

About (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate

(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate (PubChem CID 107825335) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate
PubChem CID107825335
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate
SMILESN[C@@H](CCO)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(13)5-6-14/h1-4,10,14H,5-7,13H2/t10-/m0/s1
InChIKeyPPRAYNGHUOSLAQ-JTQLQIEISA-N
XLogP1.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate 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

(2-chlorophenyl)methyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774129
6-amino-7-[(2-chlorophenyl)methoxy]-7-oxoheptanoic acid
CID 57274050
(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate
CID 82823628
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate
CID 62697560
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
methyl (2S)-2-amino-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoate;hydrochloride
CID 46243155
(2-chlorophenyl)methyl 3-nitroso-3-oxo-2-phenylpropanoate
CID 129239263
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
(2-chlorophenyl)methyl (E)-4-aminobut-2-enoate
CID 150950859

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate?
The IUPAC name of (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate (CID 107825335) is (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate.
What is the SMILES notation for (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate?
The canonical SMILES for (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate is N[C@@H](CCO)C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate?
The InChIKey is PPRAYNGHUOSLAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(13)5-6-14/h1-4,10,14H,5-7,13H2/t10-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate?
(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate has a molecular weight of 243.69 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate is sourced from PubChem (CID 107825335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).