2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid

C15H20N2O4 — CID 84748283

IUPAC2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
SMILESCOCCNC(C(=O)O)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C15H20N2O4/c1-17-9-12(14(15(18)19)16-6-7-20-2)11-8-10(21-3)4-5-13(11)17/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,18,19)
InChIKeyLWIROLVLQZILMJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.55
Rot. Bonds7

About 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid

2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid (PubChem CID 84748283) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
PubChem CID84748283
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
SMILESCOCCNC(C(=O)O)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C15H20N2O4/c1-17-9-12(14(15(18)19)16-6-7-20-2)11-8-10(21-3)4-5-13(11)17/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,18,19)
InChIKeyLWIROLVLQZILMJ-UHFFFAOYSA-N
XLogP1.55
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
CID 79583704
3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
CID 170875278
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid (CID 84748283) is 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid is COCCNC(C(=O)O)c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid?
The InChIKey is LWIROLVLQZILMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17-9-12(14(15(18)19)16-6-7-20-2)11-8-10(21-3)4-5-13(11)17/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid?
2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid is sourced from PubChem (CID 84748283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).