2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C13H23NO2 — CID 140693285

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)N1C1CCCCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeySYCXHSQZKAWMFB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.50
Rot. Bonds2

About 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 140693285) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID140693285
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)N1C1CCCCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeySYCXHSQZKAWMFB-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 64817616
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CID 7758382
2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533
2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 54050230
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 63069495
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
CID 55146891
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 140693285) is 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCC(C)N1C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SYCXHSQZKAWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 140693285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).