1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid

C12H21NO2 — CID 80699838

IUPAC1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CCC(N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C12H21NO2/c1-12(2)5-3-10(7-12)13-6-4-9(8-13)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyNYJQBEWNDRCKPP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds2

About 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid

1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid (PubChem CID 80699838) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
PubChem CID80699838
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CCC(N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C12H21NO2/c1-12(2)5-3-10(7-12)13-6-4-9(8-13)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyNYJQBEWNDRCKPP-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid (CID 80699838) is 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid is CC1(C)CCC(N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NYJQBEWNDRCKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)5-3-10(7-12)13-6-4-9(8-13)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 80699838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).