1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C14H16N2O4 — CID 66236051

IUPAC1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESNC1COCC1C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H16N2O4/c15-11-7-20-6-10(11)13(17)16-4-3-8-5-9(14(18)19)1-2-12(8)16/h1-2,5,10-11H,3-4,6-7,15H2,(H,18,19)
InChIKeyQYTKSTGWEAKARW-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.25
Rot. Bonds2

About 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 66236051) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID66236051
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESNC1COCC1C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H16N2O4/c15-11-7-20-6-10(11)13(17)16-4-3-8-5-9(14(18)19)1-2-12(8)16/h1-2,5,10-11H,3-4,6-7,15H2,(H,18,19)
InChIKeyQYTKSTGWEAKARW-UHFFFAOYSA-N
XLogP0.25
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminooxolane-3-carboxamide
CID 66240222
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 63361686
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 63714163
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61170398
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 66236051) is 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid is NC1COCC1C(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is QYTKSTGWEAKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-11-7-20-6-10(11)13(17)16-4-3-8-5-9(14(18)19)1-2-12(8)16/h1-2,5,10-11H,3-4,6-7,15H2,(H,18,19).
What are the key properties of 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 66236051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).