5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid

C20H30N2O2 — CID 22311939

IUPAC5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CCN(CC(C)C)CC(C)C)cc2c1C(=O)O
InChIInChI=1S/C20H30N2O2/c1-13(2)11-22(12-14(3)4)9-8-16-6-7-18-17(10-16)19(20(23)24)15(5)21-18/h6-7,10,13-14,21H,8-9,11-12H2,1-5H3,(H,23,24)
InChIKeyMGRSLTPFDLVWPV-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.33
Rot. Bonds8

About 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid

5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 22311939) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid
PubChem CID22311939
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CCN(CC(C)C)CC(C)C)cc2c1C(=O)O
InChIInChI=1S/C20H30N2O2/c1-13(2)11-22(12-14(3)4)9-8-16-6-7-18-17(10-16)19(20(23)24)15(5)21-18/h6-7,10,13-14,21H,8-9,11-12H2,1-5H3,(H,23,24)
InChIKeyMGRSLTPFDLVWPV-UHFFFAOYSA-N
XLogP4.33
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
CID 90686795
1-(4-tert-butylphenyl)ethyl 5-[2-(diethylamino)ethyl]-2-methyl-1H-indole-3-carboxylate
CID 10296631
benzyl 5-[2-(diethylamino)ethyl]-2-methyl-1H-indole-3-carboxylate;1-(3-chlorophenyl)ethyl 5-[2-(diethylamino)ethyl]-2-methyl-1H-indole-3-carboxylate
CID 160718539
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
1-(4-fluorophenyl)ethyl 2-methyl-5-propyl-1H-indole-3-carboxylate
CID 23393786
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 10110089
3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
CID 728856
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
1-(3,4-dichlorophenyl)ethyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate
CID 23393770

Frequently Asked Questions

What is the IUPAC name of 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid (CID 22311939) is 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2ccc(CCN(CC(C)C)CC(C)C)cc2c1C(=O)O.
What is the InChIKey of 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is MGRSLTPFDLVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13(2)11-22(12-14(3)4)9-8-16-6-7-18-17(10-16)19(20(23)24)15(5)21-18/h6-7,10,13-14,21H,8-9,11-12H2,1-5H3,(H,23,24).
What are the key properties of 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid?
5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 330.47 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 22311939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).