methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate

C14H18N2O2 — CID 115071957

IUPACmethyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
SMILESCCn1c(C(N)C(=O)OC)cc2c(C)cccc21
InChIInChI=1S/C14H18N2O2/c1-4-16-11-7-5-6-9(2)10(11)8-12(16)13(15)14(17)18-3/h5-8,13H,4,15H2,1-3H3
InChIKeyJHUBEKOBHIXFHO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate

methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate (PubChem CID 115071957) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
PubChem CID115071957
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
SMILESCCn1c(C(N)C(=O)OC)cc2c(C)cccc21
InChIInChI=1S/C14H18N2O2/c1-4-16-11-7-5-6-9(2)10(11)8-12(16)13(15)14(17)18-3/h5-8,13H,4,15H2,1-3H3
InChIKeyJHUBEKOBHIXFHO-UHFFFAOYSA-N
XLogP2.14
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
CID 115071961
1-(1-ethyl-4-methylindol-2-yl)ethanol
CID 117120337
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
ethyl 2-(1-ethyl-4-methylindol-2-yl)-2-oxoacetate
CID 115072524
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
methyl 2-amino-2-(4-bromo-1-methylindol-2-yl)acetate
CID 115071831
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
CID 142731581
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate (CID 115071957) is methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate is CCn1c(C(N)C(=O)OC)cc2c(C)cccc21.
What is the InChIKey of methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate?
The InChIKey is JHUBEKOBHIXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16-11-7-5-6-9(2)10(11)8-12(16)13(15)14(17)18-3/h5-8,13H,4,15H2,1-3H3.
What are the key properties of methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate?
methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate has a molecular weight of 246.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate is sourced from PubChem (CID 115071957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).