methyl 2-(1-hydroxyindol-3-yl)acetate

C11H11NO3 — CID 15081201

IUPACmethyl 2-(1-hydroxyindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(O)c2ccccc12
InChIInChI=1S/C11H11NO3/c1-15-11(13)6-8-7-12(14)10-5-3-2-4-9(8)10/h2-5,7,14H,6H2,1H3
InChIKeyDUNIVPPWIVJWBI-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-(1-hydroxyindol-3-yl)acetate

methyl 2-(1-hydroxyindol-3-yl)acetate (PubChem CID 15081201) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-(1-hydroxyindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxyindol-3-yl)acetate
PubChem CID15081201
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-(1-hydroxyindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(O)c2ccccc12
InChIInChI=1S/C11H11NO3/c1-15-11(13)6-8-7-12(14)10-5-3-2-4-9(8)10/h2-5,7,14H,6H2,1H3
InChIKeyDUNIVPPWIVJWBI-UHFFFAOYSA-N
XLogP1.59
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.59
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 4-(1-hydroxyindol-3-yl)butanoate
CID 10900530
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 141490327
methyl N-(1-hydroxyindol-3-yl)carbamate
CID 102153081
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
methyl 2-carbazol-9-ylacetate
CID 3745219
methyl 2-(7-chloro-1-methylindol-3-yl)acetate
CID 84741199
methyl 2-[1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]indol-3-yl]acetate
CID 77394145
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
methyl 4-(1-trimethylsilylindol-3-yl)butanoate
CID 608683

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxyindol-3-yl)acetate?
The IUPAC name of methyl 2-(1-hydroxyindol-3-yl)acetate (CID 15081201) is methyl 2-(1-hydroxyindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-hydroxyindol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-hydroxyindol-3-yl)acetate is COC(=O)Cc1cn(O)c2ccccc12.
What is the InChIKey of methyl 2-(1-hydroxyindol-3-yl)acetate?
The InChIKey is DUNIVPPWIVJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(13)6-8-7-12(14)10-5-3-2-4-9(8)10/h2-5,7,14H,6H2,1H3.
What are the key properties of methyl 2-(1-hydroxyindol-3-yl)acetate?
methyl 2-(1-hydroxyindol-3-yl)acetate has a molecular weight of 205.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxyindol-3-yl)acetate is sourced from PubChem (CID 15081201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).