[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate

C9H16N4O7 — CID 20683013

IUPAC[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
SMILESCOC(=O)NCNC(=O)COC(=O)NCNC(=O)OC
InChIInChI=1S/C9H16N4O7/c1-18-7(15)11-4-10-6(14)3-20-9(17)13-5-12-8(16)19-2/h3-5H2,1-2H3,(H,10,14)(H,11,15)(H,12,16)(H,13,17)
InChIKeyQYAYJKWUMINXQV-UHFFFAOYSA-N
MW292.25 g/mol
LogP-1.54
Rot. Bonds6

About [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate

[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate (PubChem CID 20683013) has the molecular formula C9H16N4O7 and a molecular weight of 292.25 g/mol. Its IUPAC name is [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate.

Molecular Properties

Compound Name[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
PubChem CID20683013
Molecular FormulaC9H16N4O7
Molecular Weight292.25 g/mol
Exact Mass292.10
IUPAC Name[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
SMILESCOC(=O)NCNC(=O)COC(=O)NCNC(=O)OC
InChIInChI=1S/C9H16N4O7/c1-18-7(15)11-4-10-6(14)3-20-9(17)13-5-12-8(16)19-2/h3-5H2,1-2H3,(H,10,14)(H,11,15)(H,12,16)(H,13,17)
InChIKeyQYAYJKWUMINXQV-UHFFFAOYSA-N
XLogP-1.54
TPSA144.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate?
The IUPAC name of [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate (CID 20683013) is [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate.
What is the SMILES notation for [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate?
The canonical SMILES for [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate is COC(=O)NCNC(=O)COC(=O)NCNC(=O)OC.
What is the InChIKey of [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate?
The InChIKey is QYAYJKWUMINXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O7/c1-18-7(15)11-4-10-6(14)3-20-9(17)13-5-12-8(16)19-2/h3-5H2,1-2H3,(H,10,14)(H,11,15)(H,12,16)(H,13,17).
What are the key properties of [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate?
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate has a molecular weight of 292.25 g/mol, XLogP of -1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate is sourced from PubChem (CID 20683013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).