2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid

C18H24N2O4 — CID 155591603

IUPAC2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid
SMILESCC(C)N1c2ccc(C(=O)O)cc2CC1(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O4/c1-12(2)20-15-5-4-13(16(21)22)10-14(15)11-18(20,3)17(23)19-6-8-24-9-7-19/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22)
InChIKeyIUMFKVFWAGHIJK-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid

2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid (PubChem CID 155591603) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid
PubChem CID155591603
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid
SMILESCC(C)N1c2ccc(C(=O)O)cc2CC1(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O4/c1-12(2)20-15-5-4-13(16(21)22)10-14(15)11-18(20,3)17(23)19-6-8-24-9-7-19/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22)
InChIKeyIUMFKVFWAGHIJK-UHFFFAOYSA-N
XLogP1.77
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 141309239
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxylic acid
CID 91105958
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethyl]-3H-1-benzofuran-5-carboxylic acid
CID 68922509
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491833
2-[2-(oxan-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120689406
4-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 89358468
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid?
The IUPAC name of 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid (CID 155591603) is 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid?
The canonical SMILES for 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid is CC(C)N1c2ccc(C(=O)O)cc2CC1(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid?
The InChIKey is IUMFKVFWAGHIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)20-15-5-4-13(16(21)22)10-14(15)11-18(20,3)17(23)19-6-8-24-9-7-19/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid?
2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid is sourced from PubChem (CID 155591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).