1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid

C15H24N2O4 — CID 43356008

IUPAC1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCC(C)CN1CC(C(=O)N2CCCCC2C(=O)O)CC1=O
InChIInChI=1S/C15H24N2O4/c1-10(2)8-16-9-11(7-13(16)18)14(19)17-6-4-3-5-12(17)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)
InChIKeyGARWCGOCZQXXKT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds4

About 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid

1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 43356008) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID43356008
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCC(C)CN1CC(C(=O)N2CCCCC2C(=O)O)CC1=O
InChIInChI=1S/C15H24N2O4/c1-10(2)8-16-9-11(7-13(16)18)14(19)17-6-4-3-5-12(17)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)
InChIKeyGARWCGOCZQXXKT-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61152370
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate
CID 79833676
(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 124876799
(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365065
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 81208844
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid (CID 43356008) is 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid is CC(C)CN1CC(C(=O)N2CCCCC2C(=O)O)CC1=O.
What is the InChIKey of 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is GARWCGOCZQXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)8-16-9-11(7-13(16)18)14(19)17-6-4-3-5-12(17)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43356008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).