methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate

C7H14N2O3 — CID 13269666

IUPACmethyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O3/c1-5(6(10)9(2)3)8-7(11)12-4/h5H,1-4H3,(H,8,11)
InChIKeyOMCUGSJSSDBYMA-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.18
Rot. Bonds2

About methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate

methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 13269666) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID13269666
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O3/c1-5(6(10)9(2)3)8-7(11)12-4/h5H,1-4H3,(H,8,11)
InChIKeyOMCUGSJSSDBYMA-UHFFFAOYSA-N
XLogP-0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Alanylglycinamide
CID 7019037
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
N-Acetylalanyl-N-methylamide
CID 5484387
Methyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 7019948
Alanyl-l-alaninamide
CID 7022326
Methyl L-alanylglycinate
CID 13875061
Methyl 2-(2-aminopropanamido)propanoate
CID 13967280
N-acetylalanylglycine amide
CID 13996213
L-Alanyl-N-methyl-L-alaninamide
CID 14888125
2-(Propanoylamino)propanamide
CID 18783211
tert-butyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 20724764
N~2~-Formyl-L-alaninamide
CID 55290538

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate (CID 13269666) is methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is OMCUGSJSSDBYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(6(10)9(2)3)8-7(11)12-4/h5H,1-4H3,(H,8,11).
What are the key properties of methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 174.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 13269666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).