2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate

C8H17N3O6 — CID 59532811

IUPAC2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate
SMILESCOCCOC(=O)NCNC(=O)N(CO)CO
InChIInChI=1S/C8H17N3O6/c1-16-2-3-17-8(15)10-4-9-7(14)11(5-12)6-13/h12-13H,2-6H2,1H3,(H,9,14)(H,10,15)
InChIKeyUTHONZUETIRELD-UHFFFAOYSA-N
MW251.24 g/mol
LogP-1.77
Rot. Bonds7

About 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate

2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate (PubChem CID 59532811) has the molecular formula C8H17N3O6 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate
PubChem CID59532811
Molecular FormulaC8H17N3O6
Molecular Weight251.24 g/mol
Exact Mass251.11
IUPAC Name2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate
SMILESCOCCOC(=O)NCNC(=O)N(CO)CO
InChIInChI=1S/C8H17N3O6/c1-16-2-3-17-8(15)10-4-9-7(14)11(5-12)6-13/h12-13H,2-6H2,1H3,(H,9,14)(H,10,15)
InChIKeyUTHONZUETIRELD-UHFFFAOYSA-N
XLogP-1.77
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
2-methoxyethyl N-(chlorosulfanylmethyl)carbamate
CID 71371237
hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate
CID 20609208
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
CID 59464765
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
methyl N-[[2-(2,2-difluoropropoxy)ethoxycarbonylamino]methyl]carbamate
CID 91196206
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate (CID 59532811) is 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate is COCCOC(=O)NCNC(=O)N(CO)CO.
What is the InChIKey of 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate?
The InChIKey is UTHONZUETIRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O6/c1-16-2-3-17-8(15)10-4-9-7(14)11(5-12)6-13/h12-13H,2-6H2,1H3,(H,9,14)(H,10,15).
What are the key properties of 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate?
2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate has a molecular weight of 251.24 g/mol, XLogP of -1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate is sourced from PubChem (CID 59532811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).