tert-butyl 2-(2-cyclopentylethylideneamino)acetate

C13H23NO2 — CID 59249602

IUPACtert-butyl 2-(2-cyclopentylethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC1CCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)10-14-9-8-11-6-4-5-7-11/h9,11H,4-8,10H2,1-3H3/b14-9+
InChIKeyWCXHUPYSDWECDI-NTEUORMPSA-N
MW225.33 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl 2-(2-cyclopentylethylideneamino)acetate

tert-butyl 2-(2-cyclopentylethylideneamino)acetate (PubChem CID 59249602) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclopentylethylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclopentylethylideneamino)acetate
PubChem CID59249602
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 2-(2-cyclopentylethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC1CCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)10-14-9-8-11-6-4-5-7-11/h9,11H,4-8,10H2,1-3H3/b14-9+
InChIKeyWCXHUPYSDWECDI-NTEUORMPSA-N
XLogP2.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclopentylethylideneamino)acetate?
The IUPAC name of tert-butyl 2-(2-cyclopentylethylideneamino)acetate (CID 59249602) is tert-butyl 2-(2-cyclopentylethylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-cyclopentylethylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(2-cyclopentylethylideneamino)acetate is CC(C)(C)OC(=O)C/N=C/CC1CCCC1.
What is the InChIKey of tert-butyl 2-(2-cyclopentylethylideneamino)acetate?
The InChIKey is WCXHUPYSDWECDI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)10-14-9-8-11-6-4-5-7-11/h9,11H,4-8,10H2,1-3H3/b14-9+.
What are the key properties of tert-butyl 2-(2-cyclopentylethylideneamino)acetate?
tert-butyl 2-(2-cyclopentylethylideneamino)acetate has a molecular weight of 225.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclopentylethylideneamino)acetate is sourced from PubChem (CID 59249602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).