methyl N-(methoxymethyl)carbamate

C4H9NO3 — CID 12599260

IUPACmethyl N-(methoxymethyl)carbamate
SMILESCOCNC(=O)OC
InChIInChI=1S/C4H9NO3/c1-7-3-5-4(6)8-2/h3H2,1-2H3,(H,5,6)
InChIKeyVFKBNRYIYZIRMD-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.05
Rot. Bonds2

About methyl N-(methoxymethyl)carbamate

methyl N-(methoxymethyl)carbamate (PubChem CID 12599260) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is methyl N-(methoxymethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(methoxymethyl)carbamate
PubChem CID12599260
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namemethyl N-(methoxymethyl)carbamate
SMILESCOCNC(=O)OC
InChIInChI=1S/C4H9NO3/c1-7-3-5-4(6)8-2/h3H2,1-2H3,(H,5,6)
InChIKeyVFKBNRYIYZIRMD-UHFFFAOYSA-N
XLogP-0.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propyl N-(methoxymethyl)carbamate
CID 142704391
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
1-ethoxy-3-(methoxymethyl)urea
CID 146345453
CID 59310774
CID 59310774
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
CID 141285834
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
1,1,3-tris(methoxymethyl)urea
CID 18962124
N-(methoxymethyl)-3-[3-(methoxymethylamino)-3-oxopropoxy]propanamide
CID 163884535
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664

Frequently Asked Questions

What is the IUPAC name of methyl N-(methoxymethyl)carbamate?
The IUPAC name of methyl N-(methoxymethyl)carbamate (CID 12599260) is methyl N-(methoxymethyl)carbamate.
What is the SMILES notation for methyl N-(methoxymethyl)carbamate?
The canonical SMILES for methyl N-(methoxymethyl)carbamate is COCNC(=O)OC.
What is the InChIKey of methyl N-(methoxymethyl)carbamate?
The InChIKey is VFKBNRYIYZIRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-7-3-5-4(6)8-2/h3H2,1-2H3,(H,5,6).
What are the key properties of methyl N-(methoxymethyl)carbamate?
methyl N-(methoxymethyl)carbamate has a molecular weight of 119.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(methoxymethyl)carbamate is sourced from PubChem (CID 12599260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).