1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H23NO3 — CID 79187968

IUPAC1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCC2)CC1C
InChIInChI=1S/C14H23NO3/c1-10-8-15(9-11(10)2)12(16)7-14(13(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyYGAGBBIIMLPEED-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 79187968) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID79187968
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCC2)CC1C
InChIInChI=1S/C14H23NO3/c1-10-8-15(9-11(10)2)12(16)7-14(13(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyYGAGBBIIMLPEED-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2837862
(3S)-3,5-dimethyl-3-(1-methyl-2-azabicyclo[2.1.1]hexane-2-carbonyl)hexanoic acid
CID 164643208
2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
1-(2-Oxo-2-pyrrolidin-1-YL-ethyl)-cyclopentanecarboxylic acid
CID 16395006
methyl (1S,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate
CID 14465395
1-Butyl-5-cyclopentyl-5-hydroxypyrrolidin-2-one
CID 85741802
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55010975
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60891931
1-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-Oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60949547
1-[2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60950076
1-[2-[Methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 65535590

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 79187968) is 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CC1CN(C(=O)CC2(C(=O)O)CCCC2)CC1C.
What is the InChIKey of 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is YGAGBBIIMLPEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-8-15(9-11(10)2)12(16)7-14(13(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79187968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).