tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate

C14H25NO3 — CID 165465296

IUPACtert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
SMILESCCC1CC1CC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-10-7-11(10)8-12(16)9-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyAHQBKUORLHUQQZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate

tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate (PubChem CID 165465296) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
PubChem CID165465296
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
SMILESCCC1CC1CC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-10-7-11(10)8-12(16)9-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyAHQBKUORLHUQQZ-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
CID 165471531
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
CID 165471374
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
CID 174176634
tert-butyl N-(2-amino-2-iminoethyl)-N-methylcarbamate;hydrochloride
CID 126812317
tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate
CID 165471310
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate (CID 165465296) is tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate is CCC1CC1CC(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate?
The InChIKey is AHQBKUORLHUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-10-7-11(10)8-12(16)9-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate?
tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate is sourced from PubChem (CID 165465296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).