3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 106975421

IUPAC3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)NC2COCC2(C)C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O4/c1-3-5-14(6-4-7-15-14)11(17)16-10-8-20-9-13(10,2)12(18)19/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRYKOEJJBQPEYTQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.51
Rot. Bonds5

About 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 106975421) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID106975421
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)NC2COCC2(C)C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O4/c1-3-5-14(6-4-7-15-14)11(17)16-10-8-20-9-13(10,2)12(18)19/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRYKOEJJBQPEYTQ-UHFFFAOYSA-N
XLogP0.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 106975421) is 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is CCCC1(C(=O)NC2COCC2(C)C(=O)O)CCCN1.
What is the InChIKey of 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is RYKOEJJBQPEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-5-14(6-4-7-15-14)11(17)16-10-8-20-9-13(10,2)12(18)19/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106975421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).