tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate

C10H20N2O3 — CID 11218194

IUPACtert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CON
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-6-4-5-8(12)7-14-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyYDDNOAJBYWYZCU-QMMMGPOBSA-N
MW216.28 g/mol
LogP1.28
Rot. Bonds2

About tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate (PubChem CID 11218194) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate
PubChem CID11218194
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CON
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-6-4-5-8(12)7-14-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyYDDNOAJBYWYZCU-QMMMGPOBSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate (CID 11218194) is tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CON.
What is the InChIKey of tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is YDDNOAJBYWYZCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-6-4-5-8(12)7-14-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(aminooxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11218194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).