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

C15H26N2O3 — CID 105021775

IUPACtert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCC=CO2)C1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)17-8-7-12(11-17)16-10-13-6-4-5-9-19-13/h5,9,12-13,16H,4,6-8,10-11H2,1-3H3
InChIKeyPSWUORCUOUGGDF-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.28
Rot. Bonds3

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

tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate (PubChem CID 105021775) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate
PubChem CID105021775
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCC=CO2)C1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)17-8-7-12(11-17)16-10-13-6-4-5-9-19-13/h5,9,12-13,16H,4,6-8,10-11H2,1-3H3
InChIKeyPSWUORCUOUGGDF-UHFFFAOYSA-N
XLogP2.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2,2-dimethyl-3a,4,5,6,9,9a-hexahydro-[1,3]oxazolo[5,4-c]azocine-1-carboxylate
CID 57245530
5-[1-(4-Pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 67905726
tert-butyl 2-[[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methylamino]methyl]pyrrolidine-1-carboxylate
CID 126745794
tert-butyl (4R,5S)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10612126
tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10802002
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55030644
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 62064599
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325621
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325622
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate (CID 105021775) is tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC2CCC=CO2)C1.
What is the InChIKey of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate?
The InChIKey is PSWUORCUOUGGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)17-8-7-12(11-17)16-10-13-6-4-5-9-19-13/h5,9,12-13,16H,4,6-8,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.28, 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)pyrrolidine-1-carboxylate is sourced from PubChem (CID 105021775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).