(2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid

C15H25NO4 — CID 162640673

IUPAC(2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@H]1C(=O)N[C@@](CC2CCCCC2)(C(=O)O)[C@@]1(C)O
InChIInChI=1S/C15H25NO4/c1-3-11-12(17)16-15(13(18)19,14(11,2)20)9-10-7-5-4-6-8-10/h10-11,20H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t11-,14-,15-/m0/s1
InChIKeyXNJRSAQWFHLDTM-CQDKDKBSSA-N
MW283.37 g/mol
LogP1.69
Rot. Bonds4

About (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid

(2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 162640673) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID162640673
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@H]1C(=O)N[C@@](CC2CCCCC2)(C(=O)O)[C@@]1(C)O
InChIInChI=1S/C15H25NO4/c1-3-11-12(17)16-15(13(18)19,14(11,2)20)9-10-7-5-4-6-8-10/h10-11,20H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t11-,14-,15-/m0/s1
InChIKeyXNJRSAQWFHLDTM-CQDKDKBSSA-N
XLogP1.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid 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 (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 162640673) is (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid is CC[C@H]1C(=O)N[C@@](CC2CCCCC2)(C(=O)O)[C@@]1(C)O.
What is the InChIKey of (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is XNJRSAQWFHLDTM-CQDKDKBSSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-11-12(17)16-15(13(18)19,14(11,2)20)9-10-7-5-4-6-8-10/h10-11,20H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t11-,14-,15-/m0/s1.
What are the key properties of (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
(2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(cyclohexylmethyl)-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 162640673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).