4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide

C12H21NO3 — CID 139329187

IUPAC4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide
SMILESNC(=O)C(O)C(CC1CC1)C1CCOCC1
InChIInChI=1S/C12H21NO3/c13-12(15)11(14)10(7-8-1-2-8)9-3-5-16-6-4-9/h8-11,14H,1-7H2,(H2,13,15)
InChIKeyFJWFPGVOCHOFHP-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.68
Rot. Bonds5

About 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide

4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide (PubChem CID 139329187) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide
PubChem CID139329187
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide
SMILESNC(=O)C(O)C(CC1CC1)C1CCOCC1
InChIInChI=1S/C12H21NO3/c13-12(15)11(14)10(7-8-1-2-8)9-3-5-16-6-4-9/h8-11,14H,1-7H2,(H2,13,15)
InChIKeyFJWFPGVOCHOFHP-UHFFFAOYSA-N
XLogP0.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide 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 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide?
The IUPAC name of 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide (CID 139329187) is 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide.
What is the SMILES notation for 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide?
The canonical SMILES for 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide is NC(=O)C(O)C(CC1CC1)C1CCOCC1.
What is the InChIKey of 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide?
The InChIKey is FJWFPGVOCHOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c13-12(15)11(14)10(7-8-1-2-8)9-3-5-16-6-4-9/h8-11,14H,1-7H2,(H2,13,15).
What are the key properties of 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide?
4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide has a molecular weight of 227.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-hydroxy-3-(oxan-4-yl)butanamide is sourced from PubChem (CID 139329187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).