ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate

C14H18N2O2 — CID 70416752

IUPACethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c(N)[nH]c2c(CC)cccc12
InChIInChI=1S/C14H18N2O2/c1-3-9-6-5-7-10-11(8-12(17)18-4-2)14(15)16-13(9)10/h5-7,16H,3-4,8,15H2,1-2H3
InChIKeyOPVPHTQNRSPXCL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate

ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate (PubChem CID 70416752) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate
PubChem CID70416752
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c(N)[nH]c2c(CC)cccc12
InChIInChI=1S/C14H18N2O2/c1-3-9-6-5-7-10-11(8-12(17)18-4-2)14(15)16-13(9)10/h5-7,16H,3-4,8,15H2,1-2H3
InChIKeyOPVPHTQNRSPXCL-UHFFFAOYSA-N
XLogP2.42
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,7-diethyl-1H-indol-2-yl)ethanone
CID 21239672
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
8-ethyl-1,4-dimethyl-9H-carbazol-3-amine
CID 139222915
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
3-(2-aminoethyl)-7-ethyl-1H-indole-2-carboxylic acid
CID 84740939
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(8-amino-3-bromoquinolin-4-yl)acetate
CID 19592758
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
ethyl 2-[2-(3-bromo-2-oxopropyl)-6-methylphenyl]acetate
CID 134631741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate (CID 70416752) is ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate is CCOC(=O)Cc1c(N)[nH]c2c(CC)cccc12.
What is the InChIKey of ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate?
The InChIKey is OPVPHTQNRSPXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-9-6-5-7-10-11(8-12(17)18-4-2)14(15)16-13(9)10/h5-7,16H,3-4,8,15H2,1-2H3.
What are the key properties of ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate?
ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate has a molecular weight of 246.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 70416752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).