tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate

C18H26FN3O5 — CID 166392853

IUPACtert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate
SMILESCOc1nccc(C)c1CNC(=O)OCC1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H26FN3O5/c1-12-6-7-20-14(25-5)13(12)8-21-15(23)26-11-18(19)9-22(10-18)16(24)27-17(2,3)4/h6-7H,8-11H2,1-5H3,(H,21,23)
InChIKeyZFFPRWZDJAVXFM-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate

tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate (PubChem CID 166392853) has the molecular formula C18H26FN3O5 and a molecular weight of 383.42 g/mol. Its IUPAC name is tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate
PubChem CID166392853
Molecular FormulaC18H26FN3O5
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Nametert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate
SMILESCOc1nccc(C)c1CNC(=O)OCC1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H26FN3O5/c1-12-6-7-20-14(25-5)13(12)8-21-15(23)26-11-18(19)9-22(10-18)16(24)27-17(2,3)4/h6-7H,8-11H2,1-5H3,(H,21,23)
InChIKeyZFFPRWZDJAVXFM-UHFFFAOYSA-N
XLogP2.58
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-fluoro-3-[(4-methylphenyl)sulfonyloxymethyl]azetidine-1-carboxylate
CID 129250649
tert-butyl 3-[(3-acetyl-2-methoxy-4-pyridinyl)oxymethyl]-3-(hydroxymethyl)azetidine-1-carboxylate
CID 163407431
tert-butyl 3-[(4-aminophenyl)methyl]-3-fluoroazetidine-1-carboxylate
CID 118903420
tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 118798667
tert-butyl 4,4-difluoro-3-[2-(phenylmethoxycarbonylaminomethyl)-4-pyridinyl]piperidine-1-carboxylate
CID 164734647
tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
CID 139805161
tert-butyl 3,3-dimethylpyrrolidine-1-carboxylate;3-chloro-2-methoxypyridine
CID 156848103
tert-butyl 3-hydroxy-3-[2-(3-methyl-2-pyridinyl)ethynyl]azetidine-1-carboxylate
CID 90352807
tert-butyl N-[[5-(aminomethyl)-6-methoxy-4-methyl-2-pyridinyl]methyl]carbamate
CID 67951653
tert-butyl 3-fluoro-3-[2-(3-methyl-2-pyridinyl)ethynyl]azetidine-1-carboxylate
CID 90352803
tert-butyl 3-[[3-(3-amino-1H-pyrazol-5-yl)-2-methoxy-4-pyridinyl]oxymethyl]-3-(hydroxymethyl)azetidine-1-carboxylate
CID 164938344
1-O-tert-butyl 3-O-ethyl 3-[[4-(trifluoromethyl)phenyl]methylamino]azetidine-1,3-dicarboxylate
CID 146425858

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate (CID 166392853) is tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate is COc1nccc(C)c1CNC(=O)OCC1(F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate?
The InChIKey is ZFFPRWZDJAVXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O5/c1-12-6-7-20-14(25-5)13(12)8-21-15(23)26-11-18(19)9-22(10-18)16(24)27-17(2,3)4/h6-7H,8-11H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate?
tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate has a molecular weight of 383.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-3-[(2-methoxy-4-methyl-3-pyridinyl)methylcarbamoyloxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 166392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).