2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

C12H24N2O2 — CID 166651726

IUPAC2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)CC1(C(C)(C)C)CCCN1C(=O)O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)12(9-13(4)5)7-6-8-14(12)10(15)16/h6-9H2,1-5H3,(H,15,16)
InChIKeyBRVCUSWRESHDGE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.11
Rot. Bonds2

About 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 166651726) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
PubChem CID166651726
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)CC1(C(C)(C)C)CCCN1C(=O)O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)12(9-13(4)5)7-6-8-14(12)10(15)16/h6-9H2,1-5H3,(H,15,16)
InChIKeyBRVCUSWRESHDGE-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 57420331
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 172844672
(2S)-2-tert-butyl-2-[[methyl(3-pyridin-3-ylprop-2-enyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 70119069
(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507
(2S)-2-tert-butyl-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173091920
(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
CID 134539674
1-[2-(aminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 115270695
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
2-fluoropyrrolidine-1,2-dicarboxylic acid
CID 69306748
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
(2S)-2-tert-butyl-2-[[[(1S)-3-methoxy-3-oxo-1-phenylpropyl]carbamothioylamino]methyl]pyrrolidine-1-carboxylic acid
CID 87389998

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (CID 166651726) is 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is CN(C)CC1(C(C)(C)C)CCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is BRVCUSWRESHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)12(9-13(4)5)7-6-8-14(12)10(15)16/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166651726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).