1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid

C15H18N2O4 — CID 80564136

IUPAC1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCNC1COCC1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-16-12-8-21-7-11(12)14(18)17-6-10(15(19)20)9-4-2-3-5-13(9)17/h2-5,10-12,16H,6-8H2,1H3,(H,19,20)
InChIKeyJBQDOKPXQHTMGX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.44
Rot. Bonds3

About 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid

1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564136) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564136
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCNC1COCC1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-16-12-8-21-7-11(12)14(18)17-6-10(15(19)20)9-4-2-3-5-13(9)17/h2-5,10-12,16H,6-8H2,1H3,(H,19,20)
InChIKeyJBQDOKPXQHTMGX-UHFFFAOYSA-N
XLogP0.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 80564136) is 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid is CNC1COCC1C(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is JBQDOKPXQHTMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-12-8-21-7-11(12)14(18)17-6-10(15(19)20)9-4-2-3-5-13(9)17/h2-5,10-12,16H,6-8H2,1H3,(H,19,20).
What are the key properties of 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).