tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate

C11H20N2O3 — CID 130156540

IUPACtert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)C(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8(7-5-6-7)9(14)12-4/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeySZPDAMUTNFTJSO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.04
Rot. Bonds3

About tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 130156540) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
PubChem CID130156540
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)C(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8(7-5-6-7)9(14)12-4/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeySZPDAMUTNFTJSO-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
CID 86678914
tert-butyl N-(1-cyclopropyl-2-oxobut-3-ynyl)carbamate
CID 165471005
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
(2S)-1-[(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 153287072
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate
CID 118216477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate (CID 130156540) is tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate is CNC(=O)C(NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is SZPDAMUTNFTJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8(7-5-6-7)9(14)12-4/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 130156540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).