tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate

C15H27NO3 — CID 90157019

IUPACtert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC1(COCC2CC2)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-13(17)16-8-7-15(4,10-16)11-18-9-12-5-6-12/h12H,5-11H2,1-4H3
InChIKeyFDIPPYFNAQDLEU-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate

tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 90157019) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID90157019
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC1(COCC2CC2)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-13(17)16-8-7-15(4,10-16)11-18-9-12-5-6-12/h12H,5-11H2,1-4H3
InChIKeyFDIPPYFNAQDLEU-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
3-(2-cyclopropylethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 79425073
tert-butyl 3-carbonochloridoyl-3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 59569583
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916187
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate (CID 90157019) is tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate is CC1(COCC2CC2)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is FDIPPYFNAQDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)19-13(17)16-8-7-15(4,10-16)11-18-9-12-5-6-12/h12H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate?
tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90157019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).