1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 106983725

IUPAC1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)NC2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-10(2)14(12(17)18)5-6-16(9-14)13(19)15-11-3-7-20-8-4-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNXZVEXYUXUGVFD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds3

About 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983725) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983725
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)NC2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-10(2)14(12(17)18)5-6-16(9-14)13(19)15-11-3-7-20-8-4-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNXZVEXYUXUGVFD-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983725) is 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)NC2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NXZVEXYUXUGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)14(12(17)18)5-6-16(9-14)13(19)15-11-3-7-20-8-4-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).