(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H16N2O3 — CID 78922406

IUPAC(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-13(10-5-2-3-6-11(10)16-9)14(18)17-8-4-7-12(17)15(19)20/h2-3,5-6,12,16H,4,7-8H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyCPTNXZIGJCOLKO-GFCCVEGCSA-N
MW272.30 g/mol
LogP2.17
Rot. Bonds2

About (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922406) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78922406
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-13(10-5-2-3-6-11(10)16-9)14(18)17-8-4-7-12(17)15(19)20/h2-3,5-6,12,16H,4,7-8H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyCPTNXZIGJCOLKO-GFCCVEGCSA-N
XLogP2.17
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2122721
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95605939
[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-2-carboxylic acid
CID 65054375
(3R)-1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-sulfonamide
CID 95905379
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365299
1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
CID 15324304
1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 6235718
1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 166262737
(2S)-1-[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 51427997

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 78922406) is (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CPTNXZIGJCOLKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-13(10-5-2-3-6-11(10)16-9)14(18)17-8-4-7-12(17)15(19)20/h2-3,5-6,12,16H,4,7-8H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).