tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate

C16H30N2O3 — CID 103581186

IUPACtert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCC1OCCC1(C)NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12-16(5,8-10-20-12)17-11-13-7-6-9-18(13)14(19)21-15(2,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyXCRYXGQQKBUKRN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 103581186) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID103581186
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCC1OCCC1(C)NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12-16(5,8-10-20-12)17-11-13-7-6-9-18(13)14(19)21-15(2,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyXCRYXGQQKBUKRN-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639392
tert-butyl 2-[[(3-methyloxolan-3-yl)amino]methyl]piperidine-1-carboxylate
CID 106634410
tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103827870
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[[(3,3-dimethylcyclopentyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639509
tert-butyl 2-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107248940
tert-butyl 2-[[(4,4-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106633982
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
tert-butyl 2-[[(3,3-dimethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639036
tert-butyl 2-[(prop-2-enylamino)methyl]pyrrolidine-1-carboxylate
CID 106636188
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate (CID 103581186) is tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate is CC1OCCC1(C)NCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is XCRYXGQQKBUKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-16(5,8-10-20-12)17-11-13-7-6-9-18(13)14(19)21-15(2,3)4/h12-13,17H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103581186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).