2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid

C15H24N2O4 — CID 61010093

IUPAC2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESCC(C)N1CC(C(=O)N2CCCCC2CC(=O)O)CC1=O
InChIInChI=1S/C15H24N2O4/c1-10(2)17-9-11(7-13(17)18)15(21)16-6-4-3-5-12(16)8-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyYGTYCIPVPWGRBS-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid

2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61010093) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61010093
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESCC(C)N1CC(C(=O)N2CCCCC2CC(=O)O)CC1=O
InChIInChI=1S/C15H24N2O4/c1-10(2)17-9-11(7-13(17)18)15(21)16-6-4-3-5-12(16)8-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyYGTYCIPVPWGRBS-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
4-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 102555787
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 119649660
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
3-amino-N-[[1-(5-oxo-1-pentan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579955
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
CID 54899519
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010810
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
CID 115013829
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid (CID 61010093) is 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid is CC(C)N1CC(C(=O)N2CCCCC2CC(=O)O)CC1=O.
What is the InChIKey of 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is YGTYCIPVPWGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)17-9-11(7-13(17)18)15(21)16-6-4-3-5-12(16)8-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).