methyl N-[(ethoxycarbonylamino)methyl]carbamate

C6H12N2O4 — CID 18709961

IUPACmethyl N-[(ethoxycarbonylamino)methyl]carbamate
SMILESCCOC(=O)NCNC(=O)OC
InChIInChI=1S/C6H12N2O4/c1-3-12-6(10)8-4-7-5(9)11-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyOSQFDWBHGHSIGN-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.05
Rot. Bonds3

About methyl N-[(ethoxycarbonylamino)methyl]carbamate

methyl N-[(ethoxycarbonylamino)methyl]carbamate (PubChem CID 18709961) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl N-[(ethoxycarbonylamino)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(ethoxycarbonylamino)methyl]carbamate
PubChem CID18709961
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Namemethyl N-[(ethoxycarbonylamino)methyl]carbamate
SMILESCCOC(=O)NCNC(=O)OC
InChIInChI=1S/C6H12N2O4/c1-3-12-6(10)8-4-7-5(9)11-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyOSQFDWBHGHSIGN-UHFFFAOYSA-N
XLogP0.05
TPSA76.66 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 ≤ 50.05
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

(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 20674168
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-propylcarbamate
CID 12199
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
ethyl N-(carbamoyloxymethyl)carbamate
CID 173418531
(2S)-2-[(ethoxycarbonylamino)methylamino]-3-methylpentanoic acid
CID 21120319
CID 59310774
CID 59310774
hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate
CID 20609208

Frequently Asked Questions

What is the IUPAC name of methyl N-[(ethoxycarbonylamino)methyl]carbamate?
The IUPAC name of methyl N-[(ethoxycarbonylamino)methyl]carbamate (CID 18709961) is methyl N-[(ethoxycarbonylamino)methyl]carbamate.
What is the SMILES notation for methyl N-[(ethoxycarbonylamino)methyl]carbamate?
The canonical SMILES for methyl N-[(ethoxycarbonylamino)methyl]carbamate is CCOC(=O)NCNC(=O)OC.
What is the InChIKey of methyl N-[(ethoxycarbonylamino)methyl]carbamate?
The InChIKey is OSQFDWBHGHSIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-3-12-6(10)8-4-7-5(9)11-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of methyl N-[(ethoxycarbonylamino)methyl]carbamate?
methyl N-[(ethoxycarbonylamino)methyl]carbamate has a molecular weight of 176.17 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(ethoxycarbonylamino)methyl]carbamate is sourced from PubChem (CID 18709961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).