4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid

C14H13BrN2O4 — CID 119239332

IUPAC4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1
InChIInChI=1S/C14H13BrN2O4/c15-11-8-3-1-2-4-9(8)16-12(11)13(18)17-5-6-21-10(7-17)14(19)20/h1-4,10,16H,5-7H2,(H,19,20)
InChIKeyZWVNOBJFDNGYKG-UHFFFAOYSA-N
MW353.17 g/mol
LogP1.86
Rot. Bonds2

About 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid

4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239332) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239332
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1
InChIInChI=1S/C14H13BrN2O4/c15-11-8-3-1-2-4-9(8)16-12(11)13(18)17-5-6-21-10(7-17)14(19)20/h1-4,10,16H,5-7H2,(H,19,20)
InChIKeyZWVNOBJFDNGYKG-UHFFFAOYSA-N
XLogP1.86
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560950
(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610763
(2S)-4-(4-bromo-1H-indole-3-carbonyl)morpholine-2-carboxylic acid
CID 125118741
azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
CID 110246363
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124610786
(2S)-4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxylic acid
CID 125120622
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid (CID 119239332) is 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1.
What is the InChIKey of 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is ZWVNOBJFDNGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c15-11-8-3-1-2-4-9(8)16-12(11)13(18)17-5-6-21-10(7-17)14(19)20/h1-4,10,16H,5-7H2,(H,19,20).
What are the key properties of 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 353.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).