tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate

C16H31NO2 — CID 139533485

IUPACtert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate
SMILESCCCC1(CCC)CCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C16H31NO2/c1-7-9-16(10-8-2)11-12-17(13(16)3)14(18)19-15(4,5)6/h13H,7-12H2,1-6H3
InChIKeyYTKUKOVEHGEARD-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.60
Rot. Bonds4

About tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate

tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate (PubChem CID 139533485) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate
PubChem CID139533485
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nametert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate
SMILESCCCC1(CCC)CCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C16H31NO2/c1-7-9-16(10-8-2)11-12-17(13(16)3)14(18)19-15(4,5)6/h13H,7-12H2,1-6H3
InChIKeyYTKUKOVEHGEARD-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 83851170
5-O-tert-butyl 4-O-ethyl 5-azaspiro[2.4]heptane-4,5-dicarboxylate
CID 118332036
tert-butyl 3,3-difluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 123776384
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
tert-butyl 5-(aminomethyl)-2-azabicyclo[3.1.1]heptane-2-carboxylate
CID 135393135
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
CID 146844151
tert-butyl (2S,4S)-4-hydroxy-2-methyl-4-(2-methylpropyl)piperidine-1-carboxylate
CID 129410392
(2R)-4,4-diethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42552895

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate (CID 139533485) is tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate is CCCC1(CCC)CCN(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate?
The InChIKey is YTKUKOVEHGEARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-7-9-16(10-8-2)11-12-17(13(16)3)14(18)19-15(4,5)6/h13H,7-12H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate?
tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3,3-dipropylpyrrolidine-1-carboxylate is sourced from PubChem (CID 139533485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).