tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate

C13H25NO2 — CID 64688779

IUPACtert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(11(15)16-12(2,3)4)14-9-7-8-13(14,5)6/h10H,7-9H2,1-6H3
InChIKeyXVYVWUNHTRJXAZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate

tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate (PubChem CID 64688779) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate
PubChem CID64688779
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(11(15)16-12(2,3)4)14-9-7-8-13(14,5)6/h10H,7-9H2,1-6H3
InChIKeyXVYVWUNHTRJXAZ-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(4,4-dimethylazepan-1-yl)propanoate
CID 65438547
tert-butyl (2S)-3-methyl-2-[(6R)-2-oxa-7-azadispiro[3.1.46.34]tridecan-7-yl]butanoate
CID 178087048
methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 64702799
tert-butyl (2S)-2-(azetidin-1-yl)-2-hydroxyacetate
CID 174369610
ethyl 3-(2,2-dimethylpyrrolidin-1-yl)butanoate
CID 63219741
2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
CID 164657593
tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337928
tert-butyl 2-(1-ethyl-4-hydroxyazepan-4-yl)propanoate
CID 66337460
3-(2,2-dimethylpyrrolidin-1-yl)butanehydrazide
CID 63585215

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate (CID 64688779) is tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate is CC(C(=O)OC(C)(C)C)N1CCCC1(C)C.
What is the InChIKey of tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate?
The InChIKey is XVYVWUNHTRJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(11(15)16-12(2,3)4)14-9-7-8-13(14,5)6/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate?
tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 64688779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).