2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid

C14H18N2O2 — CID 83944375

IUPAC2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
SMILESCc1cc2c(CC(=O)O)cn(CCN)c2cc1C
InChIInChI=1S/C14H18N2O2/c1-9-5-12-11(7-14(17)18)8-16(4-3-15)13(12)6-10(9)2/h5-6,8H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeyLDPMEEKRWACGCA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.84
Rot. Bonds4

About 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid

2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid (PubChem CID 83944375) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
PubChem CID83944375
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
SMILESCc1cc2c(CC(=O)O)cn(CCN)c2cc1C
InChIInChI=1S/C14H18N2O2/c1-9-5-12-11(7-14(17)18)8-16(4-3-15)13(12)6-10(9)2/h5-6,8H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeyLDPMEEKRWACGCA-UHFFFAOYSA-N
XLogP1.84
TPSA68.25 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944371
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
2-[5,6-dimethyl-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947403
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
CID 83944350
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
CID 83948430
2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid (CID 83944375) is 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid is Cc1cc2c(CC(=O)O)cn(CCN)c2cc1C.
What is the InChIKey of 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid?
The InChIKey is LDPMEEKRWACGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-12-11(7-14(17)18)8-16(4-3-15)13(12)6-10(9)2/h5-6,8H,3-4,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid?
2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid is sourced from PubChem (CID 83944375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).