hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate

C5H10N2O6 — CID 20609208

IUPAChydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate
SMILESO=C(NCNC(=O)OCO)OCO
InChIInChI=1S/C5H10N2O6/c8-2-12-4(10)6-1-7-5(11)13-3-9/h8-9H,1-3H2,(H,6,10)(H,7,11)
InChIKeyFELGKYLLTACJIX-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.70
Rot. Bonds4

About hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate

hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate (PubChem CID 20609208) has the molecular formula C5H10N2O6 and a molecular weight of 194.14 g/mol. Its IUPAC name is hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate.

Molecular Properties

Compound Namehydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate
PubChem CID20609208
Molecular FormulaC5H10N2O6
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Namehydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate
SMILESO=C(NCNC(=O)OCO)OCO
InChIInChI=1S/C5H10N2O6/c8-2-12-4(10)6-1-7-5(11)13-3-9/h8-9H,1-3H2,(H,6,10)(H,7,11)
InChIKeyFELGKYLLTACJIX-UHFFFAOYSA-N
XLogP-1.70
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-O-(acetamidomethylcarbamoyloxymethyl) 1-O-(hydroxymethyl) propanedioate
CID 54556064
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
2-hydroxybutyl N-[(2-hydroxybutoxycarbonylamino)methyl]carbamate
CID 59791185
(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 20674168
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate
CID 59532811
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane;methanediol;[2-[(methoxymethoxycarbonylamino)methylcarbamoyloxy]acetyl]oxymethyl 2-methoxyacetate
CID 161388859
2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid
CID 20645206
2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
CID 59464765
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate?
The IUPAC name of hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate (CID 20609208) is hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate.
What is the SMILES notation for hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate?
The canonical SMILES for hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate is O=C(NCNC(=O)OCO)OCO.
What is the InChIKey of hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate?
The InChIKey is FELGKYLLTACJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O6/c8-2-12-4(10)6-1-7-5(11)13-3-9/h8-9H,1-3H2,(H,6,10)(H,7,11).
What are the key properties of hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate?
hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate has a molecular weight of 194.14 g/mol, XLogP of -1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate is sourced from PubChem (CID 20609208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).