2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid

C14H23NO5 — CID 67908804

IUPAC2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid
SMILESCC(CCCCC(=O)N1CCCCC1)(C(=O)O)C(=O)O
InChIInChI=1S/C14H23NO5/c1-14(12(17)18,13(19)20)8-4-3-7-11(16)15-9-5-2-6-10-15/h2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyNRRQBEVWBWCUBL-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.73
Rot. Bonds7

About 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid

2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid (PubChem CID 67908804) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid.

Molecular Properties

Compound Name2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid
PubChem CID67908804
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid
SMILESCC(CCCCC(=O)N1CCCCC1)(C(=O)O)C(=O)O
InChIInChI=1S/C14H23NO5/c1-14(12(17)18,13(19)20)8-4-3-7-11(16)15-9-5-2-6-10-15/h2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyNRRQBEVWBWCUBL-UHFFFAOYSA-N
XLogP1.73
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
S-(11-oxo-11-piperidin-1-ylundecyl) ethanethioate
CID 21328924
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
CID 86346056
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid?
The IUPAC name of 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid (CID 67908804) is 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid.
What is the SMILES notation for 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid?
The canonical SMILES for 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid is CC(CCCCC(=O)N1CCCCC1)(C(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid?
The InChIKey is NRRQBEVWBWCUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-14(12(17)18,13(19)20)8-4-3-7-11(16)15-9-5-2-6-10-15/h2-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid?
2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid has a molecular weight of 285.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid is sourced from PubChem (CID 67908804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).