3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide

C9H15NO3 — CID 71627311

IUPAC3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCC(C)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyDUHWGLQNCKHNBY-ZETCQYMHSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds3

About 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide

3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 71627311) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID71627311
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCC(C)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyDUHWGLQNCKHNBY-ZETCQYMHSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 71627311) is 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide is CC(C)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is DUHWGLQNCKHNBY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 185.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide is sourced from PubChem (CID 71627311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).