1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid

C13H23N3O5 — CID 114425883

IUPAC1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCOCCNC(=O)CNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-9-3-5-16(10(7-9)12(18)19)13(20)15-8-11(17)14-4-6-21-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeySZPFEPIXUWMYCP-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.36
Rot. Bonds6

About 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425883) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425883
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCOCCNC(=O)CNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-9-3-5-16(10(7-9)12(18)19)13(20)15-8-11(17)14-4-6-21-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeySZPFEPIXUWMYCP-UHFFFAOYSA-N
XLogP-0.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.36
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-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425883) is 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid is COCCNC(=O)CNC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is SZPFEPIXUWMYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-9-3-5-16(10(7-9)12(18)19)13(20)15-8-11(17)14-4-6-21-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).