tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate

C14H24N2O3 — CID 102673371

IUPACtert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCC2CCC=CO2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(17)16-9-11(10-16)15-8-12-6-4-5-7-18-12/h5,7,11-12,15H,4,6,8-10H2,1-3H3
InChIKeyVBODTPNHUDJNQS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.89
Rot. Bonds3

About tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate

tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate (PubChem CID 102673371) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
PubChem CID102673371
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCC2CCC=CO2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(17)16-9-11(10-16)15-8-12-6-4-5-7-18-12/h5,7,11-12,15H,4,6,8-10H2,1-3H3
InChIKeyVBODTPNHUDJNQS-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylazetidin-3-yl] piperazine-1-carboxylate
CID 176037095
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 102613519
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cycloheptyl]carbamate
CID 103082560
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 105021775
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 105021923
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate
CID 105021938
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]carbamate
CID 105022135
tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107094715
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate
CID 107094743

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate (CID 102673371) is tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCC2CCC=CO2)C1.
What is the InChIKey of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate?
The InChIKey is VBODTPNHUDJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(17)16-9-11(10-16)15-8-12-6-4-5-7-18-12/h5,7,11-12,15H,4,6,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate?
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate is sourced from PubChem (CID 102673371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).