methyl N-(2-carbamoyloxypropyl)carbamate

C6H12N2O4 — CID 140629803

IUPACmethyl N-(2-carbamoyloxypropyl)carbamate
SMILESCOC(=O)NCC(C)OC(N)=O
InChIInChI=1S/C6H12N2O4/c1-4(12-5(7)9)3-8-6(10)11-2/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyWMFJPCKEYRMZRB-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.17
Rot. Bonds3

About methyl N-(2-carbamoyloxypropyl)carbamate

methyl N-(2-carbamoyloxypropyl)carbamate (PubChem CID 140629803) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl N-(2-carbamoyloxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-carbamoyloxypropyl)carbamate
PubChem CID140629803
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Namemethyl N-(2-carbamoyloxypropyl)carbamate
SMILESCOC(=O)NCC(C)OC(N)=O
InChIInChI=1S/C6H12N2O4/c1-4(12-5(7)9)3-8-6(10)11-2/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyWMFJPCKEYRMZRB-UHFFFAOYSA-N
XLogP-0.17
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-ethoxypropyl)carbamate
CID 115649304
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate
CID 163903219
4,4-dichlorobutan-2-yl carbamate
CID 88641274
4-oxobutan-2-yl carbamate
CID 87311597
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
[(2S)-2-carbamoyloxypropyl]-trimethylazanium chloride
CID 45266828
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-carbamoyloxypropyl)carbamate?
The IUPAC name of methyl N-(2-carbamoyloxypropyl)carbamate (CID 140629803) is methyl N-(2-carbamoyloxypropyl)carbamate.
What is the SMILES notation for methyl N-(2-carbamoyloxypropyl)carbamate?
The canonical SMILES for methyl N-(2-carbamoyloxypropyl)carbamate is COC(=O)NCC(C)OC(N)=O.
What is the InChIKey of methyl N-(2-carbamoyloxypropyl)carbamate?
The InChIKey is WMFJPCKEYRMZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-4(12-5(7)9)3-8-6(10)11-2/h4H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of methyl N-(2-carbamoyloxypropyl)carbamate?
methyl N-(2-carbamoyloxypropyl)carbamate has a molecular weight of 176.17 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-carbamoyloxypropyl)carbamate is sourced from PubChem (CID 140629803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).