ethyl 2-[cyclopropylmethyl(propyl)amino]acetate

C11H21NO2 — CID 60689063

IUPACethyl 2-[cyclopropylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)CC1CC1
InChIInChI=1S/C11H21NO2/c1-3-7-12(8-10-5-6-10)9-11(13)14-4-2/h10H,3-9H2,1-2H3
InChIKeyZYAZLIIQGRAZBE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds7

About ethyl 2-[cyclopropylmethyl(propyl)amino]acetate

ethyl 2-[cyclopropylmethyl(propyl)amino]acetate (PubChem CID 60689063) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl(propyl)amino]acetate
PubChem CID60689063
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-[cyclopropylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)CC1CC1
InChIInChI=1S/C11H21NO2/c1-3-7-12(8-10-5-6-10)9-11(13)14-4-2/h10H,3-9H2,1-2H3
InChIKeyZYAZLIIQGRAZBE-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropylmethyl(propyl)amino]acetate (CID 60689063) is ethyl 2-[cyclopropylmethyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl(propyl)amino]acetate is CCCN(CC(=O)OCC)CC1CC1.
What is the InChIKey of ethyl 2-[cyclopropylmethyl(propyl)amino]acetate?
The InChIKey is ZYAZLIIQGRAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-7-12(8-10-5-6-10)9-11(13)14-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropylmethyl(propyl)amino]acetate?
ethyl 2-[cyclopropylmethyl(propyl)amino]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl(propyl)amino]acetate is sourced from PubChem (CID 60689063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).