[(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate

C7H11NO2 — CID 126666637

IUPAC[(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@@H](N)C1
InChIInChI=1S/C7H11NO2/c1-5(9)10-7-3-2-6(8)4-7/h2-3,6-7H,4,8H2,1H3/t6-,7-/m1/s1
InChIKeyNIOCWXLTSTWONK-RNFRBKRXSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

About [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate

[(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate (PubChem CID 126666637) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate
PubChem CID126666637
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@@H](N)C1
InChIInChI=1S/C7H11NO2/c1-5(9)10-7-3-2-6(8)4-7/h2-3,6-7H,4,8H2,1H3/t6-,7-/m1/s1
InChIKeyNIOCWXLTSTWONK-RNFRBKRXSA-N
XLogP0.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate (CID 126666637) is [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate is CC(=O)O[C@@H]1C=C[C@@H](N)C1.
What is the InChIKey of [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate?
The InChIKey is NIOCWXLTSTWONK-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(9)10-7-3-2-6(8)4-7/h2-3,6-7H,4,8H2,1H3/t6-,7-/m1/s1.
What are the key properties of [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate?
[(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate has a molecular weight of 141.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-aminocyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 126666637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).