ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate

C13H15NO3 — CID 138978169

IUPACethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate
SMILESCCOC(=O)C(O)n1cc(C)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)12(15)14-8-9(2)10-6-4-5-7-11(10)14/h4-8,12,15H,3H2,1-2H3
InChIKeyBSZLBXHAJXMBJJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate

ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate (PubChem CID 138978169) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate
PubChem CID138978169
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate
SMILESCCOC(=O)C(O)n1cc(C)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)12(15)14-8-9(2)10-6-4-5-7-11(10)14/h4-8,12,15H,3H2,1-2H3
InChIKeyBSZLBXHAJXMBJJ-UHFFFAOYSA-N
XLogP2.00
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
3-(3-methylindol-1-yl)pentan-1-amine
CID 43428962
ethyl (3Z)-3-(3-methylindol-1-yl)iminobutanoate
CID 162413967
triethyl (2R)-2-(1-methylindol-3-yl)ethane-1,1,2-tricarboxylate
CID 11696471
(2S)-2-(1,3-dihydroisoindol-2-yl)-2-(3-methylindol-1-yl)acetic acid
CID 101116769
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
ethyl 3-bromoindole-1-carboxylate
CID 67446481
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
diethyl 2-(3-bromo-1-methylindol-2-yl)propanedioate
CID 135030998
ethyl 2-(5,6-difluoroindol-1-yl)-2-hydroxyacetate
CID 138975833

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate (CID 138978169) is ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate is CCOC(=O)C(O)n1cc(C)c2ccccc21.
What is the InChIKey of ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate?
The InChIKey is BSZLBXHAJXMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(16)12(15)14-8-9(2)10-6-4-5-7-11(10)14/h4-8,12,15H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate?
ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate has a molecular weight of 233.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate is sourced from PubChem (CID 138978169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).