tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate

C15H28N2O4 — CID 104705076

IUPACtert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
SMILESCOC1(CNC2CCN(C(=O)OC(C)(C)C)C2)CCOC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)21-13(18)17-7-5-12(9-17)16-10-15(19-4)6-8-20-11-15/h12,16H,5-11H2,1-4H3
InChIKeyBHCZQWULEHCCBF-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate

tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate (PubChem CID 104705076) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
PubChem CID104705076
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
SMILESCOC1(CNC2CCN(C(=O)OC(C)(C)C)C2)CCOC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)21-13(18)17-7-5-12(9-17)16-10-15(19-4)6-8-20-11-15/h12,16H,5-11H2,1-4H3
InChIKeyBHCZQWULEHCCBF-UHFFFAOYSA-N
XLogP1.39
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]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 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 84710216
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141
tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284292
tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
CID 104759812
tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103949341
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl (3R)-3-[(oxan-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 68999639
tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284326
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate (CID 104705076) is tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate is COC1(CNC2CCN(C(=O)OC(C)(C)C)C2)CCOC1.
What is the InChIKey of tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate?
The InChIKey is BHCZQWULEHCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)21-13(18)17-7-5-12(9-17)16-10-15(19-4)6-8-20-11-15/h12,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 104705076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).