aminooxy(ethyl)carbamic acid

C3H8N2O3 — CID 87523078

IUPACaminooxy(ethyl)carbamic acid
SMILESCCN(ON)C(=O)O
InChIInChI=1S/C3H8N2O3/c1-2-5(8-4)3(6)7/h2,4H2,1H3,(H,6,7)
InChIKeyWEYURWJIDQJCLT-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.21
Rot. Bonds2

About aminooxy(ethyl)carbamic acid

aminooxy(ethyl)carbamic acid (PubChem CID 87523078) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is aminooxy(ethyl)carbamic acid.

Molecular Properties

Compound Nameaminooxy(ethyl)carbamic acid
PubChem CID87523078
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Nameaminooxy(ethyl)carbamic acid
SMILESCCN(ON)C(=O)O
InChIInChI=1S/C3H8N2O3/c1-2-5(8-4)3(6)7/h2,4H2,1H3,(H,6,7)
InChIKeyWEYURWJIDQJCLT-UHFFFAOYSA-N
XLogP-0.21
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminooxy(ethyl)carbamic acid?
The IUPAC name of aminooxy(ethyl)carbamic acid (CID 87523078) is aminooxy(ethyl)carbamic acid.
What is the SMILES notation for aminooxy(ethyl)carbamic acid?
The canonical SMILES for aminooxy(ethyl)carbamic acid is CCN(ON)C(=O)O.
What is the InChIKey of aminooxy(ethyl)carbamic acid?
The InChIKey is WEYURWJIDQJCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3/c1-2-5(8-4)3(6)7/h2,4H2,1H3,(H,6,7).
What are the key properties of aminooxy(ethyl)carbamic acid?
aminooxy(ethyl)carbamic acid has a molecular weight of 120.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy(ethyl)carbamic acid is sourced from PubChem (CID 87523078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).