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

C14H16N2O3 — CID 80565592

IUPAC1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H16N2O3/c17-13(16-7-3-6-12(16)14(18)19)10-8-15-11-5-2-1-4-9(10)11/h1-2,4-5,10,12,15H,3,6-8H2,(H,18,19)
InChIKeyNPPCOCFNGAPVFN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.27
Rot. Bonds2

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

1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 80565592) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID80565592
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H16N2O3/c17-13(16-7-3-6-12(16)14(18)19)10-8-15-11-5-2-1-4-9(10)11/h1-2,4-5,10,12,15H,3,6-8H2,(H,18,19)
InChIKeyNPPCOCFNGAPVFN-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 80565967
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61159517
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(2,3-dihydro-1H-indol-3-yl)methanone
CID 80564716
(2S)-1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264791
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355870
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 80565592) is 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CNc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NPPCOCFNGAPVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(16-7-3-6-12(16)14(18)19)10-8-15-11-5-2-1-4-9(10)11/h1-2,4-5,10,12,15H,3,6-8H2,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.27, 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-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 80565592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).