(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one

C16H29NO3 — CID 67963486

IUPAC(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one
SMILESCCCC1(C(O)CCCN2C(=O)CC[C@@H]2CO)CCC1
InChIInChI=1S/C16H29NO3/c1-2-8-16(9-4-10-16)14(19)5-3-11-17-13(12-18)6-7-15(17)20/h13-14,18-19H,2-12H2,1H3/t13-,14?/m1/s1
InChIKeyDMNHALQMGDEHPL-KWCCSABGSA-N
MW283.41 g/mol
LogP2.08
Rot. Bonds8

About (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one

(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one (PubChem CID 67963486) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one
PubChem CID67963486
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one
SMILESCCCC1(C(O)CCCN2C(=O)CC[C@@H]2CO)CCC1
InChIInChI=1S/C16H29NO3/c1-2-8-16(9-4-10-16)14(19)5-3-11-17-13(12-18)6-7-15(17)20/h13-14,18-19H,2-12H2,1H3/t13-,14?/m1/s1
InChIKeyDMNHALQMGDEHPL-KWCCSABGSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one 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 (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one (CID 67963486) is (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one is CCCC1(C(O)CCCN2C(=O)CC[C@@H]2CO)CCC1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one?
The InChIKey is DMNHALQMGDEHPL-KWCCSABGSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-8-16(9-4-10-16)14(19)5-3-11-17-13(12-18)6-7-15(17)20/h13-14,18-19H,2-12H2,1H3/t13-,14?/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one?
(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one has a molecular weight of 283.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 67963486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).