tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate

C10H20N2O4 — CID 105490874

IUPACtert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CON)C1
InChIInChI=1S/C10H20N2O4/c1-9(2,3)16-8(13)12-5-4-10(14,6-12)7-15-11/h14H,4-7,11H2,1-3H3
InChIKeyYVXFCJJCEPXRAL-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.25
Rot. Bonds2

About tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate

tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 105490874) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
PubChem CID105490874
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CON)C1
InChIInChI=1S/C10H20N2O4/c1-9(2,3)16-8(13)12-5-4-10(14,6-12)7-15-11/h14H,4-7,11H2,1-3H3
InChIKeyYVXFCJJCEPXRAL-UHFFFAOYSA-N
XLogP0.25
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
2-[3-aminooxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 165448168
tert-butyl 3-hydroxy-3-[[2-[methoxy(methyl)amino]-2-oxoethyl]sulfanylmethyl]pyrrolidine-1-carboxylate
CID 126832989
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
CID 124562501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate (CID 105490874) is tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CON)C1.
What is the InChIKey of tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is YVXFCJJCEPXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-9(2,3)16-8(13)12-5-4-10(14,6-12)7-15-11/h14H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 105490874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).