2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

C13H21NO3 — CID 103978927

IUPAC2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CCCC2C(=O)O)CC1C
InChIInChI=1S/C13H21NO3/c1-8-6-14(7-9(8)2)12(15)10-4-3-5-11(10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyCIYWTRVYUUHMFZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.60
Rot. Bonds2

About 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103978927) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103978927
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CCCC2C(=O)O)CC1C
InChIInChI=1S/C13H21NO3/c1-8-6-14(7-9(8)2)12(15)10-4-3-5-11(10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyCIYWTRVYUUHMFZ-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 103979074
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79186972
1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721542
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180772
2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120976907
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
CID 107175580
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103978927) is 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CN(C(=O)C2CCCC2C(=O)O)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is CIYWTRVYUUHMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-6-14(7-9(8)2)12(15)10-4-3-5-11(10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).