2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid

C14H18N2O2 — CID 65056186

IUPAC2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
SMILESCCc1cccc2c(CN(C)CC(=O)O)c[nH]c12
InChIInChI=1S/C14H18N2O2/c1-3-10-5-4-6-12-11(7-15-14(10)12)8-16(2)9-13(17)18/h4-7,15H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyAUZQPZXHJPAKRR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds5

About 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid

2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid (PubChem CID 65056186) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
PubChem CID65056186
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
SMILESCCc1cccc2c(CN(C)CC(=O)O)c[nH]c12
InChIInChI=1S/C14H18N2O2/c1-3-10-5-4-6-12-11(7-15-14(10)12)8-16(2)9-13(17)18/h4-7,15H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyAUZQPZXHJPAKRR-UHFFFAOYSA-N
XLogP2.25
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
CID 18094285
3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid
CID 593496
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 110835994
7-ethyl-3-methyl-1H-indole
CID 13271010
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
CID 65071937
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
CID 119205068
2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
CID 65055782

Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid (CID 65056186) is 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid is CCc1cccc2c(CN(C)CC(=O)O)c[nH]c12.
What is the InChIKey of 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid?
The InChIKey is AUZQPZXHJPAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-10-5-4-6-12-11(7-15-14(10)12)8-16(2)9-13(17)18/h4-7,15H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid?
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 65056186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).