2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid

C17H19BrN2O4 — CID 119248693

IUPAC2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1c(Br)c2ccccc2n1CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H19BrN2O4/c1-11-17(18)13-4-2-3-5-14(13)20(11)10-15(21)19-6-7-24-12(9-19)8-16(22)23/h2-5,12H,6-10H2,1H3,(H,22,23)
InChIKeyNUMUQUQBSGXBNJ-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 119248693) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid
PubChem CID119248693
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1c(Br)c2ccccc2n1CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H19BrN2O4/c1-11-17(18)13-4-2-3-5-14(13)20(11)10-15(21)19-6-7-24-12(9-19)8-16(22)23/h2-5,12H,6-10H2,1H3,(H,22,23)
InChIKeyNUMUQUQBSGXBNJ-UHFFFAOYSA-N
XLogP2.41
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403554
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125132186
2-[(2S)-4-[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 125153960
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid (CID 119248693) is 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid is Cc1c(Br)c2ccccc2n1CC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is NUMUQUQBSGXBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-11-17(18)13-4-2-3-5-14(13)20(11)10-15(21)19-6-7-24-12(9-19)8-16(22)23/h2-5,12H,6-10H2,1H3,(H,22,23).
What are the key properties of 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 395.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).