2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid

C8H18N2O3 — CID 87643976

IUPAC2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CCON)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-8(2,3)6-10(7(11)12)4-5-13-9/h4-6,9H2,1-3H3,(H,11,12)
InChIKeyJLKKJGXAMVKKAY-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.90
Rot. Bonds4

About 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid

2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid (PubChem CID 87643976) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid.

Molecular Properties

Compound Name2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid
PubChem CID87643976
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CCON)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-8(2,3)6-10(7(11)12)4-5-13-9/h4-6,9H2,1-3H3,(H,11,12)
InChIKeyJLKKJGXAMVKKAY-UHFFFAOYSA-N
XLogP0.90
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.90
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(2,2-dimethylpropyl)carbamic acid?
The IUPAC name of 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid (CID 87643976) is 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid.
What is the SMILES notation for 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid?
The canonical SMILES for 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid is CC(C)(C)CN(CCON)C(=O)O.
What is the InChIKey of 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid?
The InChIKey is JLKKJGXAMVKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3)6-10(7(11)12)4-5-13-9/h4-6,9H2,1-3H3,(H,11,12).
What are the key properties of 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid?
2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid has a molecular weight of 190.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(2,2-dimethylpropyl)carbamic acid is sourced from PubChem (CID 87643976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).