1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 64824663

IUPAC1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CCCC2N)C1
InChIInChI=1S/C13H22N2O3/c1-2-13(12(17)18)6-7-15(8-13)11(16)9-4-3-5-10(9)14/h9-10H,2-8,14H2,1H3,(H,17,18)
InChIKeyJGQGJEDPHYJSSI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.83
Rot. Bonds3

About 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 64824663) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID64824663
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CCCC2N)C1
InChIInChI=1S/C13H22N2O3/c1-2-13(12(17)18)6-7-15(8-13)11(16)9-4-3-5-10(9)14/h9-10H,2-8,14H2,1H3,(H,17,18)
InChIKeyJGQGJEDPHYJSSI-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66236692
1-[(2-aminocyclohexyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149032
3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383810
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144541
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762
3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 66258534
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 64824663) is 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2CCCC2N)C1.
What is the InChIKey of 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is JGQGJEDPHYJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(12(17)18)6-7-15(8-13)11(16)9-4-3-5-10(9)14/h9-10H,2-8,14H2,1H3,(H,17,18).
What are the key properties of 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64824663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).