(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid

C17H15NO4 — CID 124609676

IUPAC(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C17H15NO4/c1-22-12-8-6-11(7-9-12)16(19)18-10-14(17(20)21)13-4-2-3-5-15(13)18/h2-9,14H,10H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyHECNTOCSJSCRIF-AWEZNQCLSA-N
MW297.31 g/mol
LogP2.52
Rot. Bonds3

About (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid

(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 124609676) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID124609676
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C17H15NO4/c1-22-12-8-6-11(7-9-12)16(19)18-10-14(17(20)21)13-4-2-3-5-15(13)18/h2-9,14H,10H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyHECNTOCSJSCRIF-AWEZNQCLSA-N
XLogP2.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691674
1-[3-(4-methoxyphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691427
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691790
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691291
(3R)-1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609772
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 104669848
1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691484
(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone
CID 10431398
(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609743
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid (CID 124609676) is (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid is COc1ccc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)cc1.
What is the InChIKey of (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is HECNTOCSJSCRIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-12-8-6-11(7-9-12)16(19)18-10-14(17(20)21)13-4-2-3-5-15(13)18/h2-9,14H,10H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid?
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 124609676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).