methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate

C14H17NO3 — CID 115071961

IUPACmethyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
SMILESCCn1c(C(O)C(=O)OC)cc2c(C)cccc21
InChIInChI=1S/C14H17NO3/c1-4-15-11-7-5-6-9(2)10(11)8-12(15)13(16)14(17)18-3/h5-8,13,16H,4H2,1-3H3
InChIKeyURWCPKZORMXCHM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate

methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate (PubChem CID 115071961) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
PubChem CID115071961
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
SMILESCCn1c(C(O)C(=O)OC)cc2c(C)cccc21
InChIInChI=1S/C14H17NO3/c1-4-15-11-7-5-6-9(2)10(11)8-12(15)13(16)14(17)18-3/h5-8,13,16H,4H2,1-3H3
InChIKeyURWCPKZORMXCHM-UHFFFAOYSA-N
XLogP2.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
CID 115071957
1-(1-ethyl-4-methylindol-2-yl)ethanol
CID 117120337
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
ethyl 2-(1-ethyl-4-methylindol-2-yl)-2-oxoacetate
CID 115072524
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
CID 142731581
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 59822486
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
CID 117194509

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate (CID 115071961) is methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate is CCn1c(C(O)C(=O)OC)cc2c(C)cccc21.
What is the InChIKey of methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate?
The InChIKey is URWCPKZORMXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-15-11-7-5-6-9(2)10(11)8-12(15)13(16)14(17)18-3/h5-8,13,16H,4H2,1-3H3.
What are the key properties of methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate?
methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate has a molecular weight of 247.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 115071961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).