tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

C11H22N2O3 — CID 91151204

IUPACtert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCN(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13(6)9(14)8(2)12-10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,12,15)
InChIKeyRUHNEKGDTOVEAH-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds3

About tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 91151204) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID91151204
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCN(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13(6)9(14)8(2)12-10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,12,15)
InChIKeyRUHNEKGDTOVEAH-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
CID 14060550
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl]carbamate
CID 11514386
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]propyl]carbamate
CID 11550481
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-methylpropyl]carbamate
CID 14774521
Carbamic acid, [2-[(cyanomethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (s)-
CID 15283376
Boc-Ala-NH2
CID 7015295
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
Tert-butyl 3-oxopiperazine-1-carboxylate
CID 3157178
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate
CID 375613
tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate
CID 545702
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate (CID 91151204) is tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate is CCN(C)C(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is RUHNEKGDTOVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7-13(6)9(14)8(2)12-10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,12,15).
What are the key properties of tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91151204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).