ethyl N-hydroxycarbamate

C3H7NO3 — CID 11510

IUPACethyl N-hydroxycarbamate
SMILESCCOC(=O)NO
InChIInChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)
InChIKeyVGEWEGHHYWGXGG-UHFFFAOYSA-N
MW105.09 g/mol
LogP0.12
Rot. Bonds1

About ethyl N-hydroxycarbamate

ethyl N-hydroxycarbamate (PubChem CID 11510) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is ethyl N-hydroxycarbamate.

Molecular Properties

Compound Nameethyl N-hydroxycarbamate
PubChem CID11510
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Nameethyl N-hydroxycarbamate
SMILESCCOC(=O)NO
InChIInChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)
InChIKeyVGEWEGHHYWGXGG-UHFFFAOYSA-N
XLogP0.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 88818502
CID 88818502
butane;propyl N-hydroxycarbamate
CID 174767978
ethyl N-iodocarbamate
CID 21443578
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-fluorocarbamate;methane
CID 158743481
ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542
azane;ethyl N-ethylcarbamate
CID 88547448
CID 175796855
CID 175796855
ethyl N-fluorosilylcarbamate
CID 173257923
ethyl N-nitrosocarbamate
CID 19911416
2-methylpropyl N-hydroxycarbamate
CID 22467

Frequently Asked Questions

What is the IUPAC name of ethyl N-hydroxycarbamate?
The IUPAC name of ethyl N-hydroxycarbamate (CID 11510) is ethyl N-hydroxycarbamate.
What is the SMILES notation for ethyl N-hydroxycarbamate?
The canonical SMILES for ethyl N-hydroxycarbamate is CCOC(=O)NO.
What is the InChIKey of ethyl N-hydroxycarbamate?
The InChIKey is VGEWEGHHYWGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5).
What are the key properties of ethyl N-hydroxycarbamate?
ethyl N-hydroxycarbamate has a molecular weight of 105.09 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-hydroxycarbamate is sourced from PubChem (CID 11510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).