1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid

C12H18N2O6 — CID 115918220

IUPAC1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(=O)NCCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H18N2O6/c1-7(15)13-4-2-10(16)14-5-3-8(11(17)18)9(6-14)12(19)20/h8-9H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)
InChIKeyQEPVTYWGIUKKFC-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.85
Rot. Bonds5

About 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid

1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918220) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918220
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(=O)NCCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H18N2O6/c1-7(15)13-4-2-10(16)14-5-3-8(11(17)18)9(6-14)12(19)20/h8-9H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)
InChIKeyQEPVTYWGIUKKFC-UHFFFAOYSA-N
XLogP-0.85
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
CID 115918606
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
1-(5-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568080
N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
CID 63107332
N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 43354240

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid (CID 115918220) is 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid is CC(=O)NCCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is QEPVTYWGIUKKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-7(15)13-4-2-10(16)14-5-3-8(11(17)18)9(6-14)12(19)20/h8-9H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20).
What are the key properties of 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid?
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).