2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide

C13H20N2O3 — CID 166301929

IUPAC2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide
SMILESCC1(C)COC(=O)C1NC(=O)C[C@H]1C=C[C@@H](N)C1
InChIInChI=1S/C13H20N2O3/c1-13(2)7-18-12(17)11(13)15-10(16)6-8-3-4-9(14)5-8/h3-4,8-9,11H,5-7,14H2,1-2H3,(H,15,16)/t8-,9+,11?/m0/s1
InChIKeyIALJAPLJOIJWJK-VUHGHZMFSA-N
MW252.31 g/mol
LogP0.35
Rot. Bonds3

About 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide

2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide (PubChem CID 166301929) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide
PubChem CID166301929
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide
SMILESCC1(C)COC(=O)C1NC(=O)C[C@H]1C=C[C@@H](N)C1
InChIInChI=1S/C13H20N2O3/c1-13(2)7-18-12(17)11(13)15-10(16)6-8-3-4-9(14)5-8/h3-4,8-9,11H,5-7,14H2,1-2H3,(H,15,16)/t8-,9+,11?/m0/s1
InChIKeyIALJAPLJOIJWJK-VUHGHZMFSA-N
XLogP0.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide?
The IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide (CID 166301929) is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide?
The canonical SMILES for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide is CC1(C)COC(=O)C1NC(=O)C[C@H]1C=C[C@@H](N)C1.
What is the InChIKey of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide?
The InChIKey is IALJAPLJOIJWJK-VUHGHZMFSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2)7-18-12(17)11(13)15-10(16)6-8-3-4-9(14)5-8/h3-4,8-9,11H,5-7,14H2,1-2H3,(H,15,16)/t8-,9+,11?/m0/s1.
What are the key properties of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide?
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 166301929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).