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

C8H13NO4 — CID 10330086

IUPAC3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5?,6-/m0/s1
InChIKeyFIXDIFPJOFIIEC-GDVGLLTNSA-N
MW187.19 g/mol
LogP-0.81
Rot. Bonds3

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

3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 10330086) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID10330086
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5?,6-/m0/s1
InChIKeyFIXDIFPJOFIIEC-GDVGLLTNSA-N
XLogP-0.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 10330086) is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide is CC(O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is FIXDIFPJOFIIEC-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5?,6-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide?
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 187.19 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide is sourced from PubChem (CID 10330086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).