1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

C13H23N3O4 — CID 63136602

IUPAC1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(=O)NCCNC(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-10(17)14-5-6-15-11(18)8-16-7-3-4-13(2,9-16)12(19)20/h3-9H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyPLDBTPQLRJKJQX-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.57
Rot. Bonds6

About 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136602) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136602
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(=O)NCCNC(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-10(17)14-5-6-15-11(18)8-16-7-3-4-13(2,9-16)12(19)20/h3-9H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyPLDBTPQLRJKJQX-UHFFFAOYSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137328
3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137457
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
3-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
CID 63137109
3-methyl-1-prop-2-ynylpiperidine-3-carboxylic acid
CID 63137152
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
1-[2-(2-chloroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136943
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (CID 63136602) is 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid is CC(=O)NCCNC(=O)CN1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is PLDBTPQLRJKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-10(17)14-5-6-15-11(18)8-16-7-3-4-13(2,9-16)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]-3-methylpiperidine-3-carboxylic acid?
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.57, 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]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).