methyl 4-(1-hydroxyindol-3-yl)butanoate

C13H15NO3 — CID 10900530

IUPACmethyl 4-(1-hydroxyindol-3-yl)butanoate
SMILESCOC(=O)CCCc1cn(O)c2ccccc12
InChIInChI=1S/C13H15NO3/c1-17-13(15)8-4-5-10-9-14(16)12-7-3-2-6-11(10)12/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyGYYSLLQHORFRLL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.37
Rot. Bonds4

About methyl 4-(1-hydroxyindol-3-yl)butanoate

methyl 4-(1-hydroxyindol-3-yl)butanoate (PubChem CID 10900530) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 4-(1-hydroxyindol-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxyindol-3-yl)butanoate
PubChem CID10900530
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 4-(1-hydroxyindol-3-yl)butanoate
SMILESCOC(=O)CCCc1cn(O)c2ccccc12
InChIInChI=1S/C13H15NO3/c1-17-13(15)8-4-5-10-9-14(16)12-7-3-2-6-11(10)12/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyGYYSLLQHORFRLL-UHFFFAOYSA-N
XLogP2.37
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-hydroxyindol-3-yl)acetate
CID 15081201
methyl 4-(1-trimethylsilylindol-3-yl)butanoate
CID 608683
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
4-(1-methylindol-3-yl)butanamide
CID 175206986
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
methyl N-(1-hydroxyindol-3-yl)carbamate
CID 102153081
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxyindol-3-yl)butanoate?
The IUPAC name of methyl 4-(1-hydroxyindol-3-yl)butanoate (CID 10900530) is methyl 4-(1-hydroxyindol-3-yl)butanoate.
What is the SMILES notation for methyl 4-(1-hydroxyindol-3-yl)butanoate?
The canonical SMILES for methyl 4-(1-hydroxyindol-3-yl)butanoate is COC(=O)CCCc1cn(O)c2ccccc12.
What is the InChIKey of methyl 4-(1-hydroxyindol-3-yl)butanoate?
The InChIKey is GYYSLLQHORFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-13(15)8-4-5-10-9-14(16)12-7-3-2-6-11(10)12/h2-3,6-7,9,16H,4-5,8H2,1H3.
What are the key properties of methyl 4-(1-hydroxyindol-3-yl)butanoate?
methyl 4-(1-hydroxyindol-3-yl)butanoate has a molecular weight of 233.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxyindol-3-yl)butanoate is sourced from PubChem (CID 10900530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).