methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate

C12H13NO3 — CID 117312084

IUPACmethyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
SMILESCOC(=O)C(O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C12H13NO3/c1-13-6-5-8-3-4-9(7-10(8)13)11(14)12(15)16-2/h3-7,11,14H,1-2H3
InChIKeyRELNQGDRVCVYNB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.38
Rot. Bonds2

About methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate

methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate (PubChem CID 117312084) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
PubChem CID117312084
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
SMILESCOC(=O)C(O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C12H13NO3/c1-13-6-5-8-3-4-9(7-10(8)13)11(14)12(15)16-2/h3-7,11,14H,1-2H3
InChIKeyRELNQGDRVCVYNB-UHFFFAOYSA-N
XLogP1.38
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(1-methylindol-6-yl)propanoic acid
CID 82614847
methyl 2-hydroxy-2-(6-methylnaphthalen-2-yl)acetate
CID 70589990
2-(methylamino)-1-(1-methylindol-6-yl)ethanol
CID 82609196
1-methylindole-6-carboxamide
CID 22245947
1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea
CID 155958370
methyl 2-[3,4-bis(methylsulfanyl)phenyl]-2-hydroxyacetate
CID 117399691
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
CID 117346082
2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
CID 72889894
methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate
CID 117341826
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate
CID 131068707

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate (CID 117312084) is methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate is COC(=O)C(O)c1ccc2ccn(C)c2c1.
What is the InChIKey of methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate?
The InChIKey is RELNQGDRVCVYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-6-5-8-3-4-9(7-10(8)13)11(14)12(15)16-2/h3-7,11,14H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate?
methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate has a molecular weight of 219.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate is sourced from PubChem (CID 117312084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).