tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate

C10H20N2O3 — CID 84681796

IUPACtert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
SMILESCNCC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h11H,6-7H2,1-5H3
InChIKeyMRNCEIAVURHNJC-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.64
Rot. Bonds4

About tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate

tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate (PubChem CID 84681796) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
PubChem CID84681796
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
SMILESCNCC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h11H,6-7H2,1-5H3
InChIKeyMRNCEIAVURHNJC-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
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-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
CID 165465296
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
CID 165471374
tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
CID 162367936
tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate
CID 142912677
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate (CID 84681796) is tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate is CNCC(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate?
The InChIKey is MRNCEIAVURHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h11H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate?
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate is sourced from PubChem (CID 84681796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).