2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid

C16H23NO4 — CID 65067161

IUPAC2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C16H23NO4/c1-10-4-5-13(18)16-12(8-11(2)15(10)16)17(6-7-21-3)9-14(19)20/h4-5,11-12,18H,6-9H2,1-3H3,(H,19,20)
InChIKeyHECPCCUIEQFMOS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.28
Rot. Bonds6

About 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid

2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067161) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid
PubChem CID65067161
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C16H23NO4/c1-10-4-5-13(18)16-12(8-11(2)15(10)16)17(6-7-21-3)9-14(19)20/h4-5,11-12,18H,6-9H2,1-3H3,(H,19,20)
InChIKeyHECPCCUIEQFMOS-UHFFFAOYSA-N
XLogP2.28
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxyethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565164
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 16777146
2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 61451944
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol
CID 82711556
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid (CID 65067161) is 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C1CC(C)c2c(C)ccc(O)c21.
What is the InChIKey of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is HECPCCUIEQFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-4-5-13(18)16-12(8-11(2)15(10)16)17(6-7-21-3)9-14(19)20/h4-5,11-12,18H,6-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid?
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).