1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid

C16H26N2O4 — CID 119354643

IUPAC1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C(=O)N1CCC(C(=O)O)C1)N1CCCCC1=O
InChIInChI=1S/C16H26N2O4/c1-11(2)9-13(18-7-4-3-5-14(18)19)15(20)17-8-6-12(10-17)16(21)22/h11-13H,3-10H2,1-2H3,(H,21,22)
InChIKeyVZUKWIDVTADQLI-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.35
Rot. Bonds5

About 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid

1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354643) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354643
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C(=O)N1CCC(C(=O)O)C1)N1CCCCC1=O
InChIInChI=1S/C16H26N2O4/c1-11(2)9-13(18-7-4-3-5-14(18)19)15(20)17-8-6-12(10-17)16(21)22/h11-13H,3-10H2,1-2H3,(H,21,22)
InChIKeyVZUKWIDVTADQLI-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
CID 97051473
1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
CID 71972492
1-[(2R)-1-[(1S,2S,3R)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
CID 97051406
1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one
CID 136513895
ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate
CID 71856807
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119636602
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid (CID 119354643) is 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid is CC(C)CC(C(=O)N1CCC(C(=O)O)C1)N1CCCCC1=O.
What is the InChIKey of 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VZUKWIDVTADQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(2)9-13(18-7-4-3-5-14(18)19)15(20)17-8-6-12(10-17)16(21)22/h11-13H,3-10H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid?
1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).