methyl N-methyl-N-(3-oxobutan-2-yl)carbamate

C7H13NO3 — CID 59582321

IUPACmethyl N-methyl-N-(3-oxobutan-2-yl)carbamate
SMILESCOC(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-5(6(2)9)8(3)7(10)11-4/h5H,1-4H3
InChIKeyFUSUMXFEXKPVLJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.66
Rot. Bonds2

About methyl N-methyl-N-(3-oxobutan-2-yl)carbamate

methyl N-methyl-N-(3-oxobutan-2-yl)carbamate (PubChem CID 59582321) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl N-methyl-N-(3-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(3-oxobutan-2-yl)carbamate
PubChem CID59582321
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl N-methyl-N-(3-oxobutan-2-yl)carbamate
SMILESCOC(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-5(6(2)9)8(3)7(10)11-4/h5H,1-4H3
InChIKeyFUSUMXFEXKPVLJ-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
CID 157315892
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate
CID 101353840
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
CID 91596847
2-[methyl(propan-2-yloxycarbonyl)amino]propanoic acid
CID 62627138
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate
CID 89278791
CID 20736384
CID 20736384

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(3-oxobutan-2-yl)carbamate?
The IUPAC name of methyl N-methyl-N-(3-oxobutan-2-yl)carbamate (CID 59582321) is methyl N-methyl-N-(3-oxobutan-2-yl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(3-oxobutan-2-yl)carbamate?
The canonical SMILES for methyl N-methyl-N-(3-oxobutan-2-yl)carbamate is COC(=O)N(C)C(C)C(C)=O.
What is the InChIKey of methyl N-methyl-N-(3-oxobutan-2-yl)carbamate?
The InChIKey is FUSUMXFEXKPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(6(2)9)8(3)7(10)11-4/h5H,1-4H3.
What are the key properties of methyl N-methyl-N-(3-oxobutan-2-yl)carbamate?
methyl N-methyl-N-(3-oxobutan-2-yl)carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(3-oxobutan-2-yl)carbamate is sourced from PubChem (CID 59582321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).