tert-butyl 3-(hydroxyamino)propanoate

C7H15NO3 — CID 103282719

IUPACtert-butyl 3-(hydroxyamino)propanoate
SMILESCC(C)(C)OC(=O)CCNO
InChIInChI=1S/C7H15NO3/c1-7(2,3)11-6(9)4-5-8-10/h8,10H,4-5H2,1-3H3
InChIKeyXIIFIHNZSDRKEM-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.70
Rot. Bonds3

About tert-butyl 3-(hydroxyamino)propanoate

tert-butyl 3-(hydroxyamino)propanoate (PubChem CID 103282719) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is tert-butyl 3-(hydroxyamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(hydroxyamino)propanoate
PubChem CID103282719
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nametert-butyl 3-(hydroxyamino)propanoate
SMILESCC(C)(C)OC(=O)CCNO
InChIInChI=1S/C7H15NO3/c1-7(2,3)11-6(9)4-5-8-10/h8,10H,4-5H2,1-3H3
InChIKeyXIIFIHNZSDRKEM-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 tert-butyl 3-(hydroxyamino)propanoate?
The IUPAC name of tert-butyl 3-(hydroxyamino)propanoate (CID 103282719) is tert-butyl 3-(hydroxyamino)propanoate.
What is the SMILES notation for tert-butyl 3-(hydroxyamino)propanoate?
The canonical SMILES for tert-butyl 3-(hydroxyamino)propanoate is CC(C)(C)OC(=O)CCNO.
What is the InChIKey of tert-butyl 3-(hydroxyamino)propanoate?
The InChIKey is XIIFIHNZSDRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)11-6(9)4-5-8-10/h8,10H,4-5H2,1-3H3.
What are the key properties of tert-butyl 3-(hydroxyamino)propanoate?
tert-butyl 3-(hydroxyamino)propanoate has a molecular weight of 161.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hydroxyamino)propanoate is sourced from PubChem (CID 103282719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).