ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate

C12H21NO2 — CID 78980171

IUPACethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C1CCCC1
InChIInChI=1S/C12H21NO2/c1-3-9-13(10-12(14)15-4-2)11-7-5-6-8-11/h3,11H,1,4-10H2,2H3
InChIKeyDHKIOTJICOULOS-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate

ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate (PubChem CID 78980171) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate
PubChem CID78980171
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C1CCCC1
InChIInChI=1S/C12H21NO2/c1-3-9-13(10-12(14)15-4-2)11-7-5-6-8-11/h3,11H,1,4-10H2,2H3
InChIKeyDHKIOTJICOULOS-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
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 ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate (CID 78980171) is ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C1CCCC1.
What is the InChIKey of ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
The InChIKey is DHKIOTJICOULOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-9-13(10-12(14)15-4-2)11-7-5-6-8-11/h3,11H,1,4-10H2,2H3.
What are the key properties of ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate has a molecular weight of 211.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 78980171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).