(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid

C16H16ClNO3 — CID 102360411

IUPAC(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)[C@H](O)c1ccc(Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H16ClNO3/c17-13-9-12(15(19)14(18)16(20)21)7-6-11(13)8-10-4-2-1-3-5-10/h1-7,9,14-15,19H,8,18H2,(H,20,21)/t14-,15+/m0/s1
InChIKeyGFIMESFSWXCRNB-LSDHHAIUSA-N
MW305.76 g/mol
LogP2.38
Rot. Bonds5

About (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid

(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid (PubChem CID 102360411) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid
PubChem CID102360411
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)[C@H](O)c1ccc(Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H16ClNO3/c17-13-9-12(15(19)14(18)16(20)21)7-6-11(13)8-10-4-2-1-3-5-10/h1-7,9,14-15,19H,8,18H2,(H,20,21)/t14-,15+/m0/s1
InChIKeyGFIMESFSWXCRNB-LSDHHAIUSA-N
XLogP2.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid 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-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
(2R)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 70401187
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
methyl (2S,3S)-2-amino-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate
CID 11256154
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
CID 83893924
sodium;(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid;hydride
CID 173371497
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
2-(4-benzyl-3-chlorophenyl)guanidine
CID 175237085

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid (CID 102360411) is (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid is N[C@H](C(=O)O)[C@H](O)c1ccc(Cc2ccccc2)c(Cl)c1.
What is the InChIKey of (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid?
The InChIKey is GFIMESFSWXCRNB-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-13-9-12(15(19)14(18)16(20)21)7-6-11(13)8-10-4-2-1-3-5-10/h1-7,9,14-15,19H,8,18H2,(H,20,21)/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid?
(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid has a molecular weight of 305.76 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 102360411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).