3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid

C11H18N2O4 — CID 114898933

IUPAC3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(=O)NC1CCN(C(=O)C(C)C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-7(11(16)17)10(15)13-5-3-9(4-6-13)12-8(2)14/h7,9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyMVIYOGSCAQVRBS-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.17
Rot. Bonds3

About 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid

3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid (PubChem CID 114898933) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid
PubChem CID114898933
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(=O)NC1CCN(C(=O)C(C)C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-7(11(16)17)10(15)13-5-3-9(4-6-13)12-8(2)14/h7,9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyMVIYOGSCAQVRBS-UHFFFAOYSA-N
XLogP-0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
CID 113314985
N-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]acetamide
CID 113402232
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
2-methyl-3-(3-methylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 114898189
2-methyl-3-(4-methylazepan-1-yl)-3-oxopropanoic acid
CID 114898450
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid (CID 114898933) is 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid is CC(=O)NC1CCN(C(=O)C(C)C(=O)O)CC1.
What is the InChIKey of 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The InChIKey is MVIYOGSCAQVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(11(16)17)10(15)13-5-3-9(4-6-13)12-8(2)14/h7,9H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114898933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).