3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid

C15H19NO2 — CID 117120379

IUPAC3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
SMILESCc1cccc2c1cc(CCC(=O)O)n2C(C)C
InChIInChI=1S/C15H19NO2/c1-10(2)16-12(7-8-15(17)18)9-13-11(3)5-4-6-14(13)16/h4-6,9-10H,7-8H2,1-3H3,(H,17,18)
InChIKeyWXRJERHWMLZKNO-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.55
Rot. Bonds4

About 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid

3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid (PubChem CID 117120379) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
PubChem CID117120379
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
SMILESCc1cccc2c1cc(CCC(=O)O)n2C(C)C
InChIInChI=1S/C15H19NO2/c1-10(2)16-12(7-8-15(17)18)9-13-11(3)5-4-6-14(13)16/h4-6,9-10H,7-8H2,1-3H3,(H,17,18)
InChIKeyWXRJERHWMLZKNO-UHFFFAOYSA-N
XLogP3.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
3-(4-chloro-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194534
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 59822486
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
CID 117194641
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid (CID 117120379) is 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid is Cc1cccc2c1cc(CCC(=O)O)n2C(C)C.
What is the InChIKey of 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid?
The InChIKey is WXRJERHWMLZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)16-12(7-8-15(17)18)9-13-11(3)5-4-6-14(13)16/h4-6,9-10H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid?
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid is sourced from PubChem (CID 117120379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).