tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate

C12H21NO4 — CID 135392825

IUPACtert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate
SMILESCOC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8(10(14)16-5)9-6-13(7-9)11(15)17-12(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeySZDVQRAEJGHKSV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate

tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate (PubChem CID 135392825) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate
PubChem CID135392825
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate
SMILESCOC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8(10(14)16-5)9-6-13(7-9)11(15)17-12(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeySZDVQRAEJGHKSV-UHFFFAOYSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate (CID 135392825) is tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate is COC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate?
The InChIKey is SZDVQRAEJGHKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(10(14)16-5)9-6-13(7-9)11(15)17-12(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methoxy-1-oxopropan-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 135392825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).