2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid

C13H16N2O3 — CID 115073382

IUPAC2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
SMILESCCn1cc(C(N)C(=O)O)c2c(OC)cccc21
InChIInChI=1S/C13H16N2O3/c1-3-15-7-8(12(14)13(16)17)11-9(15)5-4-6-10(11)18-2/h4-7,12H,3,14H2,1-2H3,(H,16,17)
InChIKeyLZEHCIHAPVWFNM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid

2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid (PubChem CID 115073382) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
PubChem CID115073382
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
SMILESCCn1cc(C(N)C(=O)O)c2c(OC)cccc21
InChIInChI=1S/C13H16N2O3/c1-3-15-7-8(12(14)13(16)17)11-9(15)5-4-6-10(11)18-2/h4-7,12H,3,14H2,1-2H3,(H,16,17)
InChIKeyLZEHCIHAPVWFNM-UHFFFAOYSA-N
XLogP1.75
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-bromo-1-ethylindol-3-yl)acetic acid
CID 115073371
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
(2S)-2-amino-2-(3-methoxy-2-propoxyphenyl)acetic acid
CID 7139541
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
CID 83173822
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid (CID 115073382) is 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid is CCn1cc(C(N)C(=O)O)c2c(OC)cccc21.
What is the InChIKey of 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid?
The InChIKey is LZEHCIHAPVWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-15-7-8(12(14)13(16)17)11-9(15)5-4-6-10(11)18-2/h4-7,12H,3,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid?
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid is sourced from PubChem (CID 115073382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).