(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid

C8H15NO2 — CID 131632229

IUPAC(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
SMILESCN1CC(C)(C)C[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2)4-6(7(10)11)9(3)5-8/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyJEMJUABMNNBKBO-ZCFIWIBFSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds1

About (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid

(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid (PubChem CID 131632229) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
PubChem CID131632229
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
SMILESCN1CC(C)(C)C[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2)4-6(7(10)11)9(3)5-8/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyJEMJUABMNNBKBO-ZCFIWIBFSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5,5-trimethylpiperidine-2-carboxylic acid
CID 118119871
molecular hydrogen;1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethanone
CID 177059296
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 90262412
2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid
CID 21016321
2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
CID 90203134
ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
CID 143643613
(2R)-1,2,4,4-tetramethylpyrrolidine
CID 93499502
(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone
CID 131962009
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454
3,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 89049247
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
4,4-dimethyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 166317246

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid (CID 131632229) is (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid is CN1CC(C)(C)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid?
The InChIKey is JEMJUABMNNBKBO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)4-6(7(10)11)9(3)5-8/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid?
(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131632229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).