tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate

C17H32N2O3 — CID 103723631

IUPACtert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCC1CCOC1
InChIInChI=1S/C17H32N2O3/c1-13(18-11-14-7-9-21-12-14)10-15-6-5-8-19(15)16(20)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyAIIOYJDBOMVRBK-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate (PubChem CID 103723631) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
PubChem CID103723631
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCC1CCOC1
InChIInChI=1S/C17H32N2O3/c1-13(18-11-14-7-9-21-12-14)10-15-6-5-8-19(15)16(20)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyAIIOYJDBOMVRBK-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 103275825
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702
tert-butyl 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]propyl]pyrrolidine-1-carboxylate
CID 103723580
tert-butyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103823099
tert-butyl 2-[2-[(4-amino-4-oxobutyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723630

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate (CID 103723631) is tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NCC1CCOC1.
What is the InChIKey of tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate?
The InChIKey is AIIOYJDBOMVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-13(18-11-14-7-9-21-12-14)10-15-6-5-8-19(15)16(20)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103723631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).