2-oxo-N-[(3S)-oxolan-3-yl]acetamide

C6H9NO3 — CID 139551845

IUPAC2-oxo-N-[(3S)-oxolan-3-yl]acetamide
SMILESO=CC(=O)N[C@H]1CCOC1
InChIInChI=1S/C6H9NO3/c8-3-6(9)7-5-1-2-10-4-5/h3,5H,1-2,4H2,(H,7,9)/t5-/m0/s1
InChIKeyGTCMENLMGYWPSJ-YFKPBYRVSA-N
MW143.14 g/mol
LogP-0.91
Rot. Bonds2

About 2-oxo-N-[(3S)-oxolan-3-yl]acetamide

2-oxo-N-[(3S)-oxolan-3-yl]acetamide (PubChem CID 139551845) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-oxo-N-[(3S)-oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-[(3S)-oxolan-3-yl]acetamide
PubChem CID139551845
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-oxo-N-[(3S)-oxolan-3-yl]acetamide
SMILESO=CC(=O)N[C@H]1CCOC1
InChIInChI=1S/C6H9NO3/c8-3-6(9)7-5-1-2-10-4-5/h3,5H,1-2,4H2,(H,7,9)/t5-/m0/s1
InChIKeyGTCMENLMGYWPSJ-YFKPBYRVSA-N
XLogP-0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
N-(oxolan-3-yl)hex-2-enamide
CID 67977572
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
2-hydrazinyl-2-oxo-N-(oxolan-3-yl)acetamide
CID 80713431
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate
CID 170343563
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
1-amino-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 81169684
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
N-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(3S)-oxolan-3-yl]acetamide?
The IUPAC name of 2-oxo-N-[(3S)-oxolan-3-yl]acetamide (CID 139551845) is 2-oxo-N-[(3S)-oxolan-3-yl]acetamide.
What is the SMILES notation for 2-oxo-N-[(3S)-oxolan-3-yl]acetamide?
The canonical SMILES for 2-oxo-N-[(3S)-oxolan-3-yl]acetamide is O=CC(=O)N[C@H]1CCOC1.
What is the InChIKey of 2-oxo-N-[(3S)-oxolan-3-yl]acetamide?
The InChIKey is GTCMENLMGYWPSJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c8-3-6(9)7-5-1-2-10-4-5/h3,5H,1-2,4H2,(H,7,9)/t5-/m0/s1.
What are the key properties of 2-oxo-N-[(3S)-oxolan-3-yl]acetamide?
2-oxo-N-[(3S)-oxolan-3-yl]acetamide has a molecular weight of 143.14 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(3S)-oxolan-3-yl]acetamide is sourced from PubChem (CID 139551845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).