tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate

C13H23NO4 — CID 165471468

IUPACtert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
SMILESCCOCC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-6-17-9-10(15)13(7-8-13)14(5)11(16)18-12(2,3)4/h6-9H2,1-5H3
InChIKeyGYZYYFGAWHEGJY-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.99
Rot. Bonds5

About tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate

tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate (PubChem CID 165471468) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
PubChem CID165471468
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
SMILESCCOCC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-6-17-9-10(15)13(7-8-13)14(5)11(16)18-12(2,3)4/h6-9H2,1-5H3
InChIKeyGYZYYFGAWHEGJY-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate (CID 165471468) is tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate is CCOCC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate?
The InChIKey is GYZYYFGAWHEGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-6-17-9-10(15)13(7-8-13)14(5)11(16)18-12(2,3)4/h6-9H2,1-5H3.
What are the key properties of tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate?
tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate has a molecular weight of 257.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate is sourced from PubChem (CID 165471468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).