4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid

C15H16N2O4 — CID 119238946

IUPAC4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)N3CCOC(C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C15H16N2O4/c1-9-2-3-10-7-12(16-11(10)6-9)14(18)17-4-5-21-13(8-17)15(19)20/h2-3,6-7,13,16H,4-5,8H2,1H3,(H,19,20)
InChIKeyUJBIPNGOCXQYOT-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.40
Rot. Bonds2

About 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid

4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119238946) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID119238946
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)N3CCOC(C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C15H16N2O4/c1-9-2-3-10-7-12(16-11(10)6-9)14(18)17-4-5-21-13(8-17)15(19)20/h2-3,6-7,13,16H,4-5,8H2,1H3,(H,19,20)
InChIKeyUJBIPNGOCXQYOT-UHFFFAOYSA-N
XLogP1.40
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567
(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694565
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid (CID 119238946) is 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid is Cc1ccc2cc(C(=O)N3CCOC(C(=O)O)C3)[nH]c2c1.
What is the InChIKey of 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is UJBIPNGOCXQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-2-3-10-7-12(16-11(10)6-9)14(18)17-4-5-21-13(8-17)15(19)20/h2-3,6-7,13,16H,4-5,8H2,1H3,(H,19,20).
What are the key properties of 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119238946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).