methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate

C13H15NO3 — CID 66819072

IUPACmethyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H15NO3/c1-8(13(16)17-2)5-9-7-14-12-4-3-10(15)6-11(9)12/h3-4,6-8,14-15H,5H2,1-2H3
InChIKeyPRNXWDUWDGXWIC-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.23
Rot. Bonds3

About methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate

methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate (PubChem CID 66819072) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
PubChem CID66819072
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H15NO3/c1-8(13(16)17-2)5-9-7-14-12-4-3-10(15)6-11(9)12/h3-4,6-8,14-15H,5H2,1-2H3
InChIKeyPRNXWDUWDGXWIC-UHFFFAOYSA-N
XLogP2.23
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970
methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11099560
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
2-[[3-[(2S)-3-methoxy-2-methyl-3-oxopropyl]-1H-indol-5-yl]oxy]acetic acid
CID 59909911
3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
CID 123400921
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11218575
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087532
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087627
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate (CID 66819072) is methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate is COC(=O)C(C)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate?
The InChIKey is PRNXWDUWDGXWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(13(16)17-2)5-9-7-14-12-4-3-10(15)6-11(9)12/h3-4,6-8,14-15H,5H2,1-2H3.
What are the key properties of methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate?
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate has a molecular weight of 233.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate is sourced from PubChem (CID 66819072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).