3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid

C12H18N2O5 — CID 83193572

IUPAC3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H18N2O5/c1-12(11(17)18)6-19-5-8(12)14-10(16)7-2-3-9(15)13-4-7/h7-8H,2-6H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyAUZZKFOJKOTTHA-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.88
Rot. Bonds3

About 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid

3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 83193572) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID83193572
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H18N2O5/c1-12(11(17)18)6-19-5-8(12)14-10(16)7-2-3-9(15)13-4-7/h7-8H,2-6H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyAUZZKFOJKOTTHA-UHFFFAOYSA-N
XLogP-0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 83193572) is 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is AUZZKFOJKOTTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-12(11(17)18)6-19-5-8(12)14-10(16)7-2-3-9(15)13-4-7/h7-8H,2-6H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83193572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).