3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid

C17H23NO2 — CID 84641969

IUPAC3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
SMILESCC(C)c1ccc2c(c1)c(C(C)(C)CC(=O)O)cn2C
InChIInChI=1S/C17H23NO2/c1-11(2)12-6-7-15-13(8-12)14(10-18(15)5)17(3,4)9-16(19)20/h6-8,10-11H,9H2,1-5H3,(H,19,20)
InChIKeyOWSDUSBGZONQCU-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.05
Rot. Bonds4

About 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid

3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid (PubChem CID 84641969) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
PubChem CID84641969
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
SMILESCC(C)c1ccc2c(c1)c(C(C)(C)CC(=O)O)cn2C
InChIInChI=1S/C17H23NO2/c1-11(2)12-6-7-15-13(8-12)14(10-18(15)5)17(3,4)9-16(19)20/h6-8,10-11H,9H2,1-5H3,(H,19,20)
InChIKeyOWSDUSBGZONQCU-UHFFFAOYSA-N
XLogP4.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine
CID 96679765
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
CID 58499284
3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117419951
N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
CID 96674946
1-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 82278918
3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
CID 117494202
2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
CID 83945028
1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
CID 163892764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid?
The IUPAC name of 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid (CID 84641969) is 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid is CC(C)c1ccc2c(c1)c(C(C)(C)CC(=O)O)cn2C.
What is the InChIKey of 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid?
The InChIKey is OWSDUSBGZONQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)12-6-7-15-13(8-12)14(10-18(15)5)17(3,4)9-16(19)20/h6-8,10-11H,9H2,1-5H3,(H,19,20).
What are the key properties of 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid?
3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid has a molecular weight of 273.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid is sourced from PubChem (CID 84641969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).