tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

C20H30N2O4 — CID 68611863

IUPACtert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCOCCC1(c2cncc(OC[C@@H]3CCN3C(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C20H30N2O4/c1-19(2,3)26-18(23)22-9-5-16(22)14-25-17-11-15(12-21-13-17)20(6-7-20)8-10-24-4/h11-13,16H,5-10,14H2,1-4H3/t16-/m0/s1
InChIKeyFOTZBBXQLLKSJP-INIZCTEOSA-N
MW362.47 g/mol
LogP3.54
Rot. Bonds7

About tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (PubChem CID 68611863) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
PubChem CID68611863
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCOCCC1(c2cncc(OC[C@@H]3CCN3C(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C20H30N2O4/c1-19(2,3)26-18(23)22-9-5-16(22)14-25-17-11-15(12-21-13-17)20(6-7-20)8-10-24-4/h11-13,16H,5-10,14H2,1-4H3/t16-/m0/s1
InChIKeyFOTZBBXQLLKSJP-INIZCTEOSA-N
XLogP3.54
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[(5-chloro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10780459
tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10574471
tert-butyl (2S)-2-[[5-(2-oxoethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 59371356
tert-butyl (2S)-2-[(5-ethynyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 56595566
tert-butyl (2S)-2-[(5-nitro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 21345209
tert-butyl (2S)-2-[[5-[(1S,2R)-2-formylcyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 59371313
tert-butyl (2S)-2-[[5-(4-hydroxybut-2-enyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 91078811
2-chloro-5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 54220085
tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 15480236
tert-butyl (2S)-2-[[5-[(2S)-2-(2-hydroxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 70879417
tert-butyl 2-[[5-[3-(2-methoxyethyl)phenyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate;toluene
CID 143976917
tert-butyl (2S)-2-[[5-(3-aminophenyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 22872652

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (CID 68611863) is tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is COCCC1(c2cncc(OC[C@@H]3CCN3C(=O)OC(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is FOTZBBXQLLKSJP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-19(2,3)26-18(23)22-9-5-16(22)14-25-17-11-15(12-21-13-17)20(6-7-20)8-10-24-4/h11-13,16H,5-10,14H2,1-4H3/t16-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[5-[1-(2-methoxyethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 68611863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).