ethyl N-(carbamoyloxymethyl)carbamate

C5H10N2O4 — CID 173418531

IUPACethyl N-(carbamoyloxymethyl)carbamate
SMILESCCOC(=O)NCOC(N)=O
InChIInChI=1S/C5H10N2O4/c1-2-10-5(9)7-3-11-4(6)8/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyLKXZYDJVLYLENE-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.21
Rot. Bonds3

About ethyl N-(carbamoyloxymethyl)carbamate

ethyl N-(carbamoyloxymethyl)carbamate (PubChem CID 173418531) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is ethyl N-(carbamoyloxymethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(carbamoyloxymethyl)carbamate
PubChem CID173418531
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Nameethyl N-(carbamoyloxymethyl)carbamate
SMILESCCOC(=O)NCOC(N)=O
InChIInChI=1S/C5H10N2O4/c1-2-10-5(9)7-3-11-4(6)8/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyLKXZYDJVLYLENE-UHFFFAOYSA-N
XLogP-0.21
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl carbamate;platinum
CID 174699937
ethyl N-propylcarbamate
CID 12199
ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
CID 71365690
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
ethyl carbamate;oxotitanium
CID 174887508
CID 173388727
CID 173388727
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174

Frequently Asked Questions

What is the IUPAC name of ethyl N-(carbamoyloxymethyl)carbamate?
The IUPAC name of ethyl N-(carbamoyloxymethyl)carbamate (CID 173418531) is ethyl N-(carbamoyloxymethyl)carbamate.
What is the SMILES notation for ethyl N-(carbamoyloxymethyl)carbamate?
The canonical SMILES for ethyl N-(carbamoyloxymethyl)carbamate is CCOC(=O)NCOC(N)=O.
What is the InChIKey of ethyl N-(carbamoyloxymethyl)carbamate?
The InChIKey is LKXZYDJVLYLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-2-10-5(9)7-3-11-4(6)8/h2-3H2,1H3,(H2,6,8)(H,7,9).
What are the key properties of ethyl N-(carbamoyloxymethyl)carbamate?
ethyl N-(carbamoyloxymethyl)carbamate has a molecular weight of 162.15 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(carbamoyloxymethyl)carbamate is sourced from PubChem (CID 173418531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).