1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid

C14H16N2O3 — CID 107530424

IUPAC1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid
SMILESO=C1CCC(CN2CCc3cc(C(=O)O)ccc32)N1
InChIInChI=1S/C14H16N2O3/c17-13-4-2-11(15-13)8-16-6-5-9-7-10(14(18)19)1-3-12(9)16/h1,3,7,11H,2,4-6,8H2,(H,15,17)(H,18,19)
InChIKeyPJJJBIVMWLQEHR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.03
Rot. Bonds3

About 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid

1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 107530424) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID107530424
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid
SMILESO=C1CCC(CN2CCc3cc(C(=O)O)ccc32)N1
InChIInChI=1S/C14H16N2O3/c17-13-4-2-11(15-13)8-16-6-5-9-7-10(14(18)19)1-3-12(9)16/h1,3,7,11H,2,4-6,8H2,(H,15,17)(H,18,19)
InChIKeyPJJJBIVMWLQEHR-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-oxopyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 107530439
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
CID 114200376
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one
CID 167969885
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 106865343
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid (CID 107530424) is 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid is O=C1CCC(CN2CCc3cc(C(=O)O)ccc32)N1.
What is the InChIKey of 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is PJJJBIVMWLQEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-4-2-11(15-13)8-16-6-5-9-7-10(14(18)19)1-3-12(9)16/h1,3,7,11H,2,4-6,8H2,(H,15,17)(H,18,19).
What are the key properties of 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid?
1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 107530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).