2-aminooxyethyl(methyl)carbamic acid

C4H10N2O3 — CID 22286173

IUPAC2-aminooxyethyl(methyl)carbamic acid
SMILESCN(CCON)C(=O)O
InChIInChI=1S/C4H10N2O3/c1-6(4(7)8)2-3-9-5/h2-3,5H2,1H3,(H,7,8)
InChIKeyHTGQQGJLZPSAAP-UHFFFAOYSA-N
MW134.14 g/mol
LogP-0.51
Rot. Bonds3

About 2-aminooxyethyl(methyl)carbamic acid

2-aminooxyethyl(methyl)carbamic acid (PubChem CID 22286173) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-aminooxyethyl(methyl)carbamic acid.

Molecular Properties

Compound Name2-aminooxyethyl(methyl)carbamic acid
PubChem CID22286173
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name2-aminooxyethyl(methyl)carbamic acid
SMILESCN(CCON)C(=O)O
InChIInChI=1S/C4H10N2O3/c1-6(4(7)8)2-3-9-5/h2-3,5H2,1H3,(H,7,8)
InChIKeyHTGQQGJLZPSAAP-UHFFFAOYSA-N
XLogP-0.51
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-0.51
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 2-aminooxyethyl(methyl)carbamic acid?
The IUPAC name of 2-aminooxyethyl(methyl)carbamic acid (CID 22286173) is 2-aminooxyethyl(methyl)carbamic acid.
What is the SMILES notation for 2-aminooxyethyl(methyl)carbamic acid?
The canonical SMILES for 2-aminooxyethyl(methyl)carbamic acid is CN(CCON)C(=O)O.
What is the InChIKey of 2-aminooxyethyl(methyl)carbamic acid?
The InChIKey is HTGQQGJLZPSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c1-6(4(7)8)2-3-9-5/h2-3,5H2,1H3,(H,7,8).
What are the key properties of 2-aminooxyethyl(methyl)carbamic acid?
2-aminooxyethyl(methyl)carbamic acid has a molecular weight of 134.14 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(methyl)carbamic acid is sourced from PubChem (CID 22286173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).