4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid

C13H23N3O4 — CID 114430186

IUPAC4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N(C)CC(=O)NC)C(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-4-9-5-6-16(10(7-9)12(18)19)13(20)15(3)8-11(17)14-2/h9-10H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyBIJPVTGYOJETEQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.36
Rot. Bonds4

About 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430186) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID114430186
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N(C)CC(=O)NC)C(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-4-9-5-6-16(10(7-9)12(18)19)13(20)15(3)8-11(17)14-2/h9-10H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyBIJPVTGYOJETEQ-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid (CID 114430186) is 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)N(C)CC(=O)NC)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is BIJPVTGYOJETEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-9-5-6-16(10(7-9)12(18)19)13(20)15(3)8-11(17)14-2/h9-10H,4-8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).