3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid

C15H15N3O3 — CID 102775875

IUPAC3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cccc3nccnc23)C1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-5-8-18(13(9)15(20)21)14(19)10-3-2-4-11-12(10)17-7-6-16-11/h2-4,6-7,9,13H,5,8H2,1H3,(H,20,21)
InChIKeyTXSNCLUSDOONQS-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.57
Rot. Bonds2

About 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102775875) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102775875
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cccc3nccnc23)C1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-5-8-18(13(9)15(20)21)14(19)10-3-2-4-11-12(10)17-7-6-16-11/h2-4,6-7,9,13H,5,8H2,1H3,(H,20,21)
InChIKeyTXSNCLUSDOONQS-UHFFFAOYSA-N
XLogP1.57
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
1-(3-chloro-2-fluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069645
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258
3-methyl-1-(2-prop-2-enoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 102775190
[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 74245280
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
CID 104614004
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 102775875) is 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)c2cccc3nccnc23)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is TXSNCLUSDOONQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-5-8-18(13(9)15(20)21)14(19)10-3-2-4-11-12(10)17-7-6-16-11/h2-4,6-7,9,13H,5,8H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).