3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid

C15H26N2O3 — CID 83071372

IUPAC3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
SMILESCCC1(C(=O)N2CCC(CCC(=O)O)CC2)CCCN1
InChIInChI=1S/C15H26N2O3/c1-2-15(8-3-9-16-15)14(20)17-10-6-12(7-11-17)4-5-13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyOOSVRHOOGGXGIK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds5

About 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 83071372) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID83071372
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
SMILESCCC1(C(=O)N2CCC(CCC(=O)O)CC2)CCCN1
InChIInChI=1S/C15H26N2O3/c1-2-15(8-3-9-16-15)14(20)17-10-6-12(7-11-17)4-5-13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyOOSVRHOOGGXGIK-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975090
2-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 83072476
(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072313
N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 83071816
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608261
(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625313
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 83073309
(2-ethylpyrrolidin-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217712
(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975291
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid
CID 115435232
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid (CID 83071372) is 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid is CCC1(C(=O)N2CCC(CCC(=O)O)CC2)CCCN1.
What is the InChIKey of 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is OOSVRHOOGGXGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-15(8-3-9-16-15)14(20)17-10-6-12(7-11-17)4-5-13(18)19/h12,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 83071372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).