2-aminooxyethyl N-propan-2-ylcarbamate

C6H14N2O3 — CID 87899151

IUPAC2-aminooxyethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCON
InChIInChI=1S/C6H14N2O3/c1-5(2)8-6(9)10-3-4-11-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyBCFCXJDYNHILEO-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.01
Rot. Bonds4

About 2-aminooxyethyl N-propan-2-ylcarbamate

2-aminooxyethyl N-propan-2-ylcarbamate (PubChem CID 87899151) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-aminooxyethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-aminooxyethyl N-propan-2-ylcarbamate
PubChem CID87899151
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-aminooxyethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCON
InChIInChI=1S/C6H14N2O3/c1-5(2)8-6(9)10-3-4-11-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyBCFCXJDYNHILEO-UHFFFAOYSA-N
XLogP0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminooxyethyl N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-aminooxyethyl N-propan-2-ylcarbamate (CID 87899151) is 2-aminooxyethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-aminooxyethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-aminooxyethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCON.
What is the InChIKey of 2-aminooxyethyl N-propan-2-ylcarbamate?
The InChIKey is BCFCXJDYNHILEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-5(2)8-6(9)10-3-4-11-7/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-aminooxyethyl N-propan-2-ylcarbamate?
2-aminooxyethyl N-propan-2-ylcarbamate has a molecular weight of 162.19 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 87899151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).