4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid

C14H24N2O4 — CID 114430536

IUPAC4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC2(C)CCOC2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-10-4-6-16(11(8-10)12(17)18)13(19)15-14(2)5-7-20-9-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyZRAQQXDQOXEBHY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds3

About 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430536) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114430536
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC2(C)CCOC2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-10-4-6-16(11(8-10)12(17)18)13(19)15-14(2)5-7-20-9-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyZRAQQXDQOXEBHY-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid (CID 114430536) is 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)NC2(C)CCOC2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is ZRAQQXDQOXEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-10-4-6-16(11(8-10)12(17)18)13(19)15-14(2)5-7-20-9-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).