3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid

C15H16N2O4 — CID 102775453

IUPAC3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)C1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-8-4-5-17(13(8)15(20)21)14(19)9-2-3-11-10(6-9)7-12(18)16-11/h2-3,6,8,13H,4-5,7H2,1H3,(H,16,18)(H,20,21)
InChIKeyBKEGRRMESCDBNU-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.12
Rot. Bonds2

About 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102775453) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102775453
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)C1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-8-4-5-17(13(8)15(20)21)14(19)9-2-3-11-10(6-9)7-12(18)16-11/h2-3,6,8,13H,4-5,7H2,1H3,(H,16,18)(H,20,21)
InChIKeyBKEGRRMESCDBNU-UHFFFAOYSA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
CID 102711591
1-(3-amino-4-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780395
2-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 102710678
3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775469
cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
CID 22827913
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107068936
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 102775453) is 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BKEGRRMESCDBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8-4-5-17(13(8)15(20)21)14(19)9-2-3-11-10(6-9)7-12(18)16-11/h2-3,6,8,13H,4-5,7H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).