4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide

C12H22N2O2 — CID 106175478

IUPAC4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCC1=CCCC1
InChIInChI=1S/C12H22N2O2/c1-16-11(9-13)8-12(15)14-7-6-10-4-2-3-5-10/h4,11H,2-3,5-9,13H2,1H3,(H,14,15)
InChIKeyBAZQECQGTATHCL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds7

About 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide

4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide (PubChem CID 106175478) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide
PubChem CID106175478
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCC1=CCCC1
InChIInChI=1S/C12H22N2O2/c1-16-11(9-13)8-12(15)14-7-6-10-4-2-3-5-10/h4,11H,2-3,5-9,13H2,1H3,(H,14,15)
InChIKeyBAZQECQGTATHCL-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide (CID 106175478) is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCCC1=CCCC1.
What is the InChIKey of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide?
The InChIKey is BAZQECQGTATHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-11(9-13)8-12(15)14-7-6-10-4-2-3-5-10/h4,11H,2-3,5-9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide?
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide has a molecular weight of 226.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide is sourced from PubChem (CID 106175478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).