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

C11H19NO2 — CID 78971801

IUPACmethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-3-8-12(9-11(13)14-2)10-6-4-5-7-10/h3,10H,1,4-9H2,2H3
InChIKeyHGGGKNIOWBMXMI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds5

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

methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate (PubChem CID 78971801) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate
PubChem CID78971801
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-[cyclopentyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-3-8-12(9-11(13)14-2)10-6-4-5-7-10/h3,10H,1,4-9H2,2H3
InChIKeyHGGGKNIOWBMXMI-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
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 methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate (CID 78971801) is methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
The InChIKey is HGGGKNIOWBMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-8-12(9-11(13)14-2)10-6-4-5-7-10/h3,10H,1,4-9H2,2H3.
What are the key properties of methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate?
methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 78971801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).