ditert-butyl azetidine-1,2-dicarboxylate

C13H23NO4 — CID 14821737

IUPACditert-butyl azetidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-12(2,3)17-10(15)9-7-8-14(9)11(16)18-13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyZMRFLABIONNICS-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds1

About ditert-butyl azetidine-1,2-dicarboxylate

ditert-butyl azetidine-1,2-dicarboxylate (PubChem CID 14821737) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ditert-butyl azetidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl azetidine-1,2-dicarboxylate
PubChem CID14821737
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameditert-butyl azetidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-12(2,3)17-10(15)9-7-8-14(9)11(16)18-13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyZMRFLABIONNICS-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ditert-butyl azetidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
1-O-tert-butyl 2-O-(chloromethyl) (2S)-azetidine-1,2-dicarboxylate
CID 171393356
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
CID 90070662
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
CID 175527976
ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
ditert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 101367108

Frequently Asked Questions

What is the IUPAC name of ditert-butyl azetidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl azetidine-1,2-dicarboxylate (CID 14821737) is ditert-butyl azetidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl azetidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl azetidine-1,2-dicarboxylate is CC(C)(C)OC(=O)C1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl azetidine-1,2-dicarboxylate?
The InChIKey is ZMRFLABIONNICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-12(2,3)17-10(15)9-7-8-14(9)11(16)18-13(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of ditert-butyl azetidine-1,2-dicarboxylate?
ditert-butyl azetidine-1,2-dicarboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl azetidine-1,2-dicarboxylate is sourced from PubChem (CID 14821737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).