(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate

C10H18N4O8 — CID 20674168

IUPAC(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
SMILESCCOC(=O)NCNC(=O)OCOC(=O)NCNC(=O)OC
InChIInChI=1S/C10H18N4O8/c1-3-20-8(16)12-5-14-10(18)22-6-21-9(17)13-4-11-7(15)19-2/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)(H,14,18)
InChIKeyRXTCGXWBCTZWHN-UHFFFAOYSA-N
MW322.27 g/mol
LogP-0.59
Rot. Bonds7

About (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate

(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate (PubChem CID 20674168) has the molecular formula C10H18N4O8 and a molecular weight of 322.27 g/mol. Its IUPAC name is (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate.

Molecular Properties

Compound Name(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
PubChem CID20674168
Molecular FormulaC10H18N4O8
Molecular Weight322.27 g/mol
Exact Mass322.11
IUPAC Name(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
SMILESCCOC(=O)NCNC(=O)OCOC(=O)NCNC(=O)OC
InChIInChI=1S/C10H18N4O8/c1-3-20-8(16)12-5-14-10(18)22-6-21-9(17)13-4-11-7(15)19-2/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)(H,14,18)
InChIKeyRXTCGXWBCTZWHN-UHFFFAOYSA-N
XLogP-0.59
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
[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
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
3-O-(acetamidomethylcarbamoyloxymethyl) 1-O-(hydroxymethyl) propanedioate
CID 54556064
ethyl N-(carbamoyloxymethyl)carbamate
CID 173418531
2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
(2S)-2-[(ethoxycarbonylamino)methylamino]-3-methylpentanoic acid
CID 21120319
ethyl N-hydroxycarbamate
CID 11510

Frequently Asked Questions

What is the IUPAC name of (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate?
The IUPAC name of (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate (CID 20674168) is (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate.
What is the SMILES notation for (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate?
The canonical SMILES for (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate is CCOC(=O)NCNC(=O)OCOC(=O)NCNC(=O)OC.
What is the InChIKey of (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate?
The InChIKey is RXTCGXWBCTZWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O8/c1-3-20-8(16)12-5-14-10(18)22-6-21-9(17)13-4-11-7(15)19-2/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)(H,14,18).
What are the key properties of (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate?
(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate has a molecular weight of 322.27 g/mol, XLogP of -0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate is sourced from PubChem (CID 20674168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).