1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid

C13H23NO2 — CID 79862792

IUPAC1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1CCCC1(C)C
InChIInChI=1S/C13H23NO2/c1-9-10(12(15)16)6-8-14(9)11-5-4-7-13(11,2)3/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyUBAHIJYMPULPFT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79862792) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79862792
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1CCCC1(C)C
InChIInChI=1S/C13H23NO2/c1-9-10(12(15)16)6-8-14(9)11-5-4-7-13(11,2)3/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyUBAHIJYMPULPFT-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79862792) is 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UBAHIJYMPULPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-10(12(15)16)6-8-14(9)11-5-4-7-13(11,2)3/h9-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79862792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).