2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid

C15H22N2O3 — CID 65067451

IUPAC2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O3/c1-16-6-5-13-9-12(3-4-14(13)16)10-17(7-8-20-2)11-15(18)19/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyKTNIJDTYMVWOKK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.21
Rot. Bonds7

About 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid

2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid (PubChem CID 65067451) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
PubChem CID65067451
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O3/c1-16-6-5-13-9-12(3-4-14(13)16)10-17(7-8-20-2)11-15(18)19/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyKTNIJDTYMVWOKK-UHFFFAOYSA-N
XLogP1.21
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 65062421
2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65057866
3-[(1-methyl-2,3-dihydroindol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 65057405
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 142945145
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
N-(2-methoxyethyl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 64867290
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid (CID 65067451) is 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid is COCCN(CC(=O)O)Cc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
The InChIKey is KTNIJDTYMVWOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-6-5-13-9-12(3-4-14(13)16)10-17(7-8-20-2)11-15(18)19/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 65067451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).