tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate

C11H20N2O4 — CID 66988034

IUPACtert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate
SMILESCOCNC(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-8(6-13)9(14)12-7-16-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyGGUNINFUQRSDTB-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds3

About tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate

tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate (PubChem CID 66988034) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate
PubChem CID66988034
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate
SMILESCOCNC(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-8(6-13)9(14)12-7-16-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyGGUNINFUQRSDTB-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate (CID 66988034) is tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate is COCNC(=O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is GGUNINFUQRSDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-8(6-13)9(14)12-7-16-4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate?
tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxymethylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 66988034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).