3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide

C12H21NO3 — CID 136517846

IUPAC3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide
SMILESCC1(NC(=O)CC(C)(O)C2CC2)CCOC1
InChIInChI=1S/C12H21NO3/c1-11(5-6-16-8-11)13-10(14)7-12(2,15)9-3-4-9/h9,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyWNRKUHARORCQNH-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.83
Rot. Bonds4

About 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide

3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide (PubChem CID 136517846) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide
PubChem CID136517846
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide
SMILESCC1(NC(=O)CC(C)(O)C2CC2)CCOC1
InChIInChI=1S/C12H21NO3/c1-11(5-6-16-8-11)13-10(14)7-12(2,15)9-3-4-9/h9,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyWNRKUHARORCQNH-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115766446
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3-[tert-butyl-[(3-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
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(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide
CID 104865232
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
CID 97244449
3-[(3-methyloxolan-3-yl)amino]-2,3-dioxopropanoic acid
CID 130696078
1-ethoxy-3-(3-methyloxolan-3-yl)urea
CID 130615932
(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
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CID 120613594

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide (CID 136517846) is 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide is CC1(NC(=O)CC(C)(O)C2CC2)CCOC1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide?
The InChIKey is WNRKUHARORCQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(5-6-16-8-11)13-10(14)7-12(2,15)9-3-4-9/h9,15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide?
3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide has a molecular weight of 227.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide is sourced from PubChem (CID 136517846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).