tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate

C14H21N3O3 — CID 18771787

IUPACtert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2cccc(N)n2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-10(8-17)9-19-12-6-4-5-11(15)16-12/h4-6,10H,7-9H2,1-3H3,(H2,15,16)
InChIKeyAXNDWTRHVWWDRE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.91
Rot. Bonds3

About tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate

tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate (PubChem CID 18771787) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
PubChem CID18771787
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2cccc(N)n2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-10(8-17)9-19-12-6-4-5-11(15)16-12/h4-6,10H,7-9H2,1-3H3,(H2,15,16)
InChIKeyAXNDWTRHVWWDRE-UHFFFAOYSA-N
XLogP1.91
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid
CID 69411731
tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate
CID 155289011
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679
tert-butyl 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 146380661
tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 59110535
tert-butyl 3-[(3,4-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271449
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 3-[(3-amino-5-bromophenoxy)methyl]azetidine-1-carboxylate
CID 166594011
tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71630298
tert-butyl (3S)-3-[(5-amino-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 127264139
tert-butyl 3-[(3,5-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271451
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate (CID 18771787) is tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(COc2cccc(N)n2)C1.
What is the InChIKey of tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The InChIKey is AXNDWTRHVWWDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-10(8-17)9-19-12-6-4-5-11(15)16-12/h4-6,10H,7-9H2,1-3H3,(H2,15,16).
What are the key properties of tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate?
tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 18771787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).