1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

C13H23N3O4 — CID 104598589

IUPAC1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(=O)NCCNC(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-10(17)14-6-7-15-11(18)9-16-8-4-3-5-13(16,2)12(19)20/h3-9H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyAXOGKQOHDWJWGQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.43
Rot. Bonds6

About 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598589) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598589
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(=O)NCCNC(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-10(17)14-6-7-15-11(18)9-16-8-4-3-5-13(16,2)12(19)20/h3-9H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyAXOGKQOHDWJWGQ-UHFFFAOYSA-N
XLogP-0.43
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598869
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136602
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598886
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598906
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446
1-[2-(2-acetamidoethylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564329
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (CID 104598589) is 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is CC(=O)NCCNC(=O)CN1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is AXOGKQOHDWJWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-10(17)14-6-7-15-11(18)9-16-8-4-3-5-13(16,2)12(19)20/h3-9H2,1-2H3,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).