tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride

C8H17ClN2O3 — CID 91827965

IUPACtert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
SMILESCNC(=O)CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-8(2,3)13-7(12)10-5-6(11)9-4;/h5H2,1-4H3,(H,9,11)(H,10,12);1H
InChIKeyFWUFUHTVEMZQNR-UHFFFAOYSA-N
MW224.69 g/mol
LogP0.68
Rot. Bonds2

About tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride

tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride (PubChem CID 91827965) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
PubChem CID91827965
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Nametert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
SMILESCNC(=O)CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-8(2,3)13-7(12)10-5-6(11)9-4;/h5H2,1-4H3,(H,9,11)(H,10,12);1H
InChIKeyFWUFUHTVEMZQNR-UHFFFAOYSA-N
XLogP0.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
CID 56765722
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride (CID 91827965) is tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride is CNC(=O)CNC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride?
The InChIKey is FWUFUHTVEMZQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-8(2,3)13-7(12)10-5-6(11)9-4;/h5H2,1-4H3,(H,9,11)(H,10,12);1H.
What are the key properties of tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride?
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride is sourced from PubChem (CID 91827965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).