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

C8H11NO4 — CID 10419888

IUPAC3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyFIHPLICEAUNEFV-LURJTMIESA-N
MW185.18 g/mol
LogP-0.60
Rot. Bonds3

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

3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 10419888) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID10419888
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyFIHPLICEAUNEFV-LURJTMIESA-N
XLogP-0.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 10419888) is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide is CC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is FIHPLICEAUNEFV-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1.
What are the key properties of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide?
3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 185.18 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide is sourced from PubChem (CID 10419888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).