2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

C16H28N2O2 — CID 115561490

IUPAC2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCN1CC2CCCC2C1
InChIInChI=1S/C16H28N2O2/c1-17-16(15(19)20)8-3-6-14(16)7-9-18-10-12-4-2-5-13(12)11-18/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyUEKIMJNGOFCVSR-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 115561490) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID115561490
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCN1CC2CCCC2C1
InChIInChI=1S/C16H28N2O2/c1-17-16(15(19)20)8-3-6-14(16)7-9-18-10-12-4-2-5-13(12)11-18/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyUEKIMJNGOFCVSR-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564582
2-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564394
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 81464092
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 104691569
1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572494
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (CID 115561490) is 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCN1CC2CCCC2C1.
What is the InChIKey of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UEKIMJNGOFCVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-17-16(15(19)20)8-3-6-14(16)7-9-18-10-12-4-2-5-13(12)11-18/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115561490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).