tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate

C13H23NO3 — CID 165466706

IUPACtert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
SMILESCN(CC(=O)CC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14(4)9-11(15)8-10-6-5-7-10/h10H,5-9H2,1-4H3
InChIKeyDDRZMHYDFYTCCZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.61
Rot. Bonds4

About tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate

tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate (PubChem CID 165466706) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
PubChem CID165466706
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
SMILESCN(CC(=O)CC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14(4)9-11(15)8-10-6-5-7-10/h10H,5-9H2,1-4H3
InChIKeyDDRZMHYDFYTCCZ-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
CID 165471374
tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
CID 165465296
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
tert-butyl N-(3-cyclopropyl-2-oxopropyl)-N-prop-2-ynylcarbamate
CID 165468013
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-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate
CID 165471310
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
CID 116861117
tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
CID 107246654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate (CID 165466706) is tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate is CN(CC(=O)CC1CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate?
The InChIKey is DDRZMHYDFYTCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14(4)9-11(15)8-10-6-5-7-10/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate?
tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate has a molecular weight of 241.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate is sourced from PubChem (CID 165466706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).