(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid

C19H19NO4 — CID 124609743

IUPAC(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1cccc(CCC(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1
InChIInChI=1S/C19H19NO4/c1-24-14-6-4-5-13(11-14)9-10-18(21)20-12-16(19(22)23)15-7-2-3-8-17(15)20/h2-8,11,16H,9-10,12H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyCKMCCNHIQNGWLA-MRXNPFEDSA-N
MW325.36 g/mol
LogP2.84
Rot. Bonds5

About (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid

(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 124609743) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID124609743
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1cccc(CCC(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1
InChIInChI=1S/C19H19NO4/c1-24-14-6-4-5-13(11-14)9-10-18(21)20-12-16(19(22)23)15-7-2-3-8-17(15)20/h2-8,11,16H,9-10,12H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyCKMCCNHIQNGWLA-MRXNPFEDSA-N
XLogP2.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(difluoromethoxy)phenyl]propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691751
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691713
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691292
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110712924
1-[3-(4-methoxyphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691427
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691291
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
(3R)-1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609772

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid (CID 124609743) is (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid is COc1cccc(CCC(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1.
What is the InChIKey of (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is CKMCCNHIQNGWLA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-14-6-4-5-13(11-14)9-10-18(21)20-12-16(19(22)23)15-7-2-3-8-17(15)20/h2-8,11,16H,9-10,12H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 124609743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).