methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate

C12H21NO5 — CID 59712965

IUPACmethyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1([C@@H](O)C(C)C)NC(=O)C(C)[C@]1(C)O
InChIInChI=1S/C12H21NO5/c1-6(2)8(14)12(10(16)18-5)11(4,17)7(3)9(15)13-12/h6-8,14,17H,1-5H3,(H,13,15)/t7?,8-,11-,12-/m0/s1
InChIKeyGWSRGJLNRIUBAH-GLQKGHKPSA-N
MW259.30 g/mol
LogP-0.57
Rot. Bonds3

About methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate

methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 59712965) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate
PubChem CID59712965
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1([C@@H](O)C(C)C)NC(=O)C(C)[C@]1(C)O
InChIInChI=1S/C12H21NO5/c1-6(2)8(14)12(10(16)18-5)11(4,17)7(3)9(15)13-12/h6-8,14,17H,1-5H3,(H,13,15)/t7?,8-,11-,12-/m0/s1
InChIKeyGWSRGJLNRIUBAH-GLQKGHKPSA-N
XLogP-0.57
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate (CID 59712965) is methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@]1([C@@H](O)C(C)C)NC(=O)C(C)[C@]1(C)O.
What is the InChIKey of methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is GWSRGJLNRIUBAH-GLQKGHKPSA-N. The full InChI is InChI=1S/C12H21NO5/c1-6(2)8(14)12(10(16)18-5)11(4,17)7(3)9(15)13-12/h6-8,14,17H,1-5H3,(H,13,15)/t7?,8-,11-,12-/m0/s1.
What are the key properties of methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate?
methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 259.30 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 59712965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).