1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid

C15H18N2O3 — CID 119353686

IUPAC1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CCc3ccccc32)C1
InChIInChI=1S/C15H18N2O3/c18-14(17-8-6-12(9-17)15(19)20)10-16-7-5-11-3-1-2-4-13(11)16/h1-4,12H,5-10H2,(H,19,20)
InChIKeyPNPPDBYQCWXODQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119353686) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119353686
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CCc3ccccc32)C1
InChIInChI=1S/C15H18N2O3/c18-14(17-8-6-12(9-17)15(19)20)10-16-7-5-11-3-1-2-4-13(11)16/h1-4,12H,5-10H2,(H,19,20)
InChIKeyPNPPDBYQCWXODQ-UHFFFAOYSA-N
XLogP0.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119355060
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide
CID 94369976
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
(3R)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125134556
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
CID 129470949
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 119353686) is 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CN2CCc3ccccc32)C1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PNPPDBYQCWXODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(17-8-6-12(9-17)15(19)20)10-16-7-5-11-3-1-2-4-13(11)16/h1-4,12H,5-10H2,(H,19,20).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119353686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).