methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate

C10H12O3 — CID 25241509

IUPACmethyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
SMILES[2H][C@@H](C(=O)OC)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m1/s1/i7D/t7-,9-
InChIKeyVZHHCQFCDCJKIX-UJMSGYGLSA-N
MW181.21 g/mol
LogP1.28
Rot. Bonds3

About methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate

methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate (PubChem CID 25241509) has the molecular formula C10H12O3 and a molecular weight of 181.21 g/mol. Its IUPAC name is methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
PubChem CID25241509
Molecular FormulaC10H12O3
Molecular Weight181.21 g/mol
Exact Mass181.08
IUPAC Namemethyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
SMILES[2H][C@@H](C(=O)OC)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m1/s1/i7D/t7-,9-
InChIKeyVZHHCQFCDCJKIX-UJMSGYGLSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate 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

methyl 5-hydroxy-3-oxo-5-phenylpentanoate
CID 11020460
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
4-hydroxy-1,1-dimethoxy-4-phenylbutan-2-one
CID 101201301
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate (CID 25241509) is methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate is [2H][C@@H](C(=O)OC)[C@@H](O)c1ccccc1.
What is the InChIKey of methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate?
The InChIKey is VZHHCQFCDCJKIX-UJMSGYGLSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m1/s1/i7D/t7-,9-.
What are the key properties of methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate?
methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate has a molecular weight of 181.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 25241509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).