tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate

C11H22N2O4 — CID 87494634

IUPACtert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)12-8(7-16-6)9(14)13(4)5/h8H,7H2,1-6H3,(H,12,15)
InChIKeyRUFKIDLYURTWOT-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.61
Rot. Bonds4

About tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate (PubChem CID 87494634) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
PubChem CID87494634
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nametert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)12-8(7-16-6)9(14)13(4)5/h8H,7H2,1-6H3,(H,12,15)
InChIKeyRUFKIDLYURTWOT-UHFFFAOYSA-N
XLogP0.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
CID 87125447
tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
CID 89440433
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
(2R)-2-[[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 175033628
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
methyl 5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 85196754
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
CID 178201497
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156
tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 71279849
methyl (2S)-3-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54302944
tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 167208112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate (CID 87494634) is tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate is COCC(NC(=O)OC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate?
The InChIKey is RUFKIDLYURTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)12-8(7-16-6)9(14)13(4)5/h8H,7H2,1-6H3,(H,12,15).
What are the key properties of tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 87494634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).