2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid

C15H26N2O3 — CID 106980595

IUPAC2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCC(C)C1(C(=O)N2CCCC(CC(=O)O)C2)CCNC1
InChIInChI=1S/C15H26N2O3/c1-11(2)15(5-6-16-10-15)14(20)17-7-3-4-12(9-17)8-13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyGKMVTNJZYJXYSX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.34
Rot. Bonds4

About 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 106980595) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID106980595
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCC(C)C1(C(=O)N2CCCC(CC(=O)O)C2)CCNC1
InChIInChI=1S/C15H26N2O3/c1-11(2)15(5-6-16-10-15)14(20)17-7-3-4-12(9-17)8-13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyGKMVTNJZYJXYSX-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982112
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981004
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid (CID 106980595) is 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid is CC(C)C1(C(=O)N2CCCC(CC(=O)O)C2)CCNC1.
What is the InChIKey of 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is GKMVTNJZYJXYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)15(5-6-16-10-15)14(20)17-7-3-4-12(9-17)8-13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 106980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).