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

C12H20N2O4 — CID 66250893

IUPAC3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CNCC1C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7-3-13-4-8(7)10(15)14-9-5-18-6-12(9,2)11(16)17/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVQVNDRIXJYEKSC-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.55
Rot. Bonds3

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

3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66250893) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66250893
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CNCC1C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7-3-13-4-8(7)10(15)14-9-5-18-6-12(9,2)11(16)17/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVQVNDRIXJYEKSC-UHFFFAOYSA-N
XLogP-0.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66250893) is 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is CC1CNCC1C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VQVNDRIXJYEKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7-3-13-4-8(7)10(15)14-9-5-18-6-12(9,2)11(16)17/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66250893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).