2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid

C11H17NO4 — CID 65222111

IUPAC2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
SMILESCCCC(CN1C(=O)CCCC1=O)C(=O)O
InChIInChI=1S/C11H17NO4/c1-2-4-8(11(15)16)7-12-9(13)5-3-6-10(12)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyTWJXHYRNBFRLIU-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.03
Rot. Bonds5

About 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid

2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid (PubChem CID 65222111) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
PubChem CID65222111
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
SMILESCCCC(CN1C(=O)CCCC1=O)C(=O)O
InChIInChI=1S/C11H17NO4/c1-2-4-8(11(15)16)7-12-9(13)5-3-6-10(12)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyTWJXHYRNBFRLIU-UHFFFAOYSA-N
XLogP1.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2,7-dioxoazepan-1-yl)methyl]pentanoic acid
CID 65221514
2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
CID 65221515
2-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]pentanoic acid
CID 103551504
3-(2,6-dioxopiperidin-1-yl)-2-hydroxypropanamide
CID 106172345
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251
2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid
CID 65223862
1-(4-hydroxy-2-methylbutyl)piperidine-2,6-dione
CID 66107801
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106
1-[(2S)-2-aminopropyl]piperidine-2,6-dione
CID 93050253
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid
CID 65221997

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid?
The IUPAC name of 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid (CID 65222111) is 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid?
The canonical SMILES for 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid is CCCC(CN1C(=O)CCCC1=O)C(=O)O.
What is the InChIKey of 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid?
The InChIKey is TWJXHYRNBFRLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-4-8(11(15)16)7-12-9(13)5-3-6-10(12)14/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid?
2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid is sourced from PubChem (CID 65222111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).