(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C15H17NO4 — CID 62760682

IUPAC(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)C1CCCOC1
InChIInChI=1S/C15H17NO4/c17-14(11-5-3-7-20-9-11)16-12-6-2-1-4-10(12)8-13(16)15(18)19/h1-2,4,6,11,13H,3,5,7-9H2,(H,18,19)/t11?,13-/m0/s1
InChIKeyQISYINUEWHUPSF-YUZLPWPTSA-N
MW275.30 g/mol
LogP1.46
Rot. Bonds2

About (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 62760682) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID62760682
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)C1CCCOC1
InChIInChI=1S/C15H17NO4/c17-14(11-5-3-7-20-9-11)16-12-6-2-1-4-10(12)8-13(16)15(18)19/h1-2,4,6,11,13H,3,5,7-9H2,(H,18,19)/t11?,13-/m0/s1
InChIKeyQISYINUEWHUPSF-YUZLPWPTSA-N
XLogP1.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 43172331
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 62760682) is (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1C(=O)C1CCCOC1.
What is the InChIKey of (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QISYINUEWHUPSF-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(11-5-3-7-20-9-11)16-12-6-2-1-4-10(12)8-13(16)15(18)19/h1-2,4,6,11,13H,3,5,7-9H2,(H,18,19)/t11?,13-/m0/s1.
What are the key properties of (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 62760682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).