3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid

C15H19NO3 — CID 117120620

IUPAC3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C15H19NO3/c1-9(2)16-12-5-4-6-14(17)11(12)8-13(16)10(3)7-15(18)19/h4-6,8-10,17H,7H2,1-3H3,(H,18,19)
InChIKeyUXWIKUCYRDOOCR-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid

3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid (PubChem CID 117120620) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
PubChem CID117120620
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C15H19NO3/c1-9(2)16-12-5-4-6-14(17)11(12)8-13(16)10(3)7-15(18)19/h4-6,8-10,17H,7H2,1-3H3,(H,18,19)
InChIKeyUXWIKUCYRDOOCR-UHFFFAOYSA-N
XLogP3.51
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117194628
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
3-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]butanoic acid
CID 117121481
2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
CID 117194641
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid
CID 83898224
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
3-naphthalen-1-ylbutanoic acid
CID 43211329

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid?
The IUPAC name of 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid (CID 117120620) is 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid.
What is the SMILES notation for 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid?
The canonical SMILES for 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid is CC(CC(=O)O)c1cc2c(O)cccc2n1C(C)C.
What is the InChIKey of 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid?
The InChIKey is UXWIKUCYRDOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(2)16-12-5-4-6-14(17)11(12)8-13(16)10(3)7-15(18)19/h4-6,8-10,17H,7H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid?
3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid is sourced from PubChem (CID 117120620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).