1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid

C21H20N2O3 — CID 166224769

IUPAC1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(CCc1c[nH]c2ccccc12)NC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C21H20N2O3/c24-19(10-9-15-13-22-18-8-4-2-6-16(15)18)23-21(20(25)26)12-11-14-5-1-3-7-17(14)21/h1-8,13,22H,9-12H2,(H,23,24)(H,25,26)
InChIKeyYEJVTYBICVHYOL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.14
Rot. Bonds5

About 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid

1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 166224769) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid
PubChem CID166224769
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(CCc1c[nH]c2ccccc12)NC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C21H20N2O3/c24-19(10-9-15-13-22-18-8-4-2-6-16(15)18)23-21(20(25)26)12-11-14-5-1-3-7-17(14)21/h1-8,13,22H,9-12H2,(H,23,24)(H,25,26)
InChIKeyYEJVTYBICVHYOL-UHFFFAOYSA-N
XLogP3.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 103991132

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid (CID 166224769) is 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid is O=C(CCc1c[nH]c2ccccc12)NC1(C(=O)O)CCc2ccccc21.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is YEJVTYBICVHYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19(10-9-15-13-22-18-8-4-2-6-16(15)18)23-21(20(25)26)12-11-14-5-1-3-7-17(14)21/h1-8,13,22H,9-12H2,(H,23,24)(H,25,26).
What are the key properties of 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid?
1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 166224769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).