3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid

C8H13NO2 — CID 54194765

IUPAC3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1CC(C)(C)C(C(=O)O)N1
InChIInChI=1S/C8H13NO2/c1-5-4-8(2,3)6(9-5)7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11)
InChIKeyPLAJJTWKEXXQPR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds1

About 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid

3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid (PubChem CID 54194765) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
PubChem CID54194765
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1CC(C)(C)C(C(=O)O)N1
InChIInChI=1S/C8H13NO2/c1-5-4-8(2,3)6(9-5)7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11)
InChIKeyPLAJJTWKEXXQPR-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
3,3-dimethyl-5-oxopiperazine-2-carboxylic acid
CID 154319520
(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
CID 139998983
(3S)-2,2-dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 14039527
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359808
3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359974
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane
CID 144812819
3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 130577831
7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359830
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 105360048

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid (CID 54194765) is 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid is C=C1CC(C)(C)C(C(=O)O)N1.
What is the InChIKey of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
The InChIKey is PLAJJTWKEXXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-4-8(2,3)6(9-5)7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11).
What are the key properties of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54194765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).