tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate

C12H20N2O3 — CID 124518782

IUPACtert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC([C@H]2CCNC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8(7-14)9-4-5-13-10(9)15/h8-9H,4-7H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyGKUQORFOPNOYOU-SECBINFHSA-N
MW240.30 g/mol
LogP0.99
Rot. Bonds1

About tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate

tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate (PubChem CID 124518782) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate
PubChem CID124518782
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC([C@H]2CCNC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8(7-14)9-4-5-13-10(9)15/h8-9H,4-7H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyGKUQORFOPNOYOU-SECBINFHSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate (CID 124518782) is tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC([C@H]2CCNC2=O)C1.
What is the InChIKey of tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate?
The InChIKey is GKUQORFOPNOYOU-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8(7-14)9-4-5-13-10(9)15/h8-9H,4-7H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate?
tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate is sourced from PubChem (CID 124518782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).