1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid

C14H16N2O3 — CID 61157126

IUPAC1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H16N2O3/c17-13(16-7-1-2-12(16)14(18)19)10-3-4-11-9(8-10)5-6-15-11/h3-4,8,12,15H,1-2,5-7H2,(H,18,19)
InChIKeyZUWMZIBEWRAQCP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.34
Rot. Bonds2

About 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid

1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61157126) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61157126
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H16N2O3/c17-13(16-7-1-2-12(16)14(18)19)10-3-4-11-9(8-10)5-6-15-11/h3-4,8,12,15H,1-2,5-7H2,(H,18,19)
InChIKeyZUWMZIBEWRAQCP-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 60937223
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843359
(2S)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61162120
(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 61162121
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 61157126) is 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZUWMZIBEWRAQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(16-7-1-2-12(16)14(18)19)10-3-4-11-9(8-10)5-6-15-11/h3-4,8,12,15H,1-2,5-7H2,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61157126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).