2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid

C14H19NO3 — CID 79367822

IUPAC2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCc2ccc(OC)cc21
InChIInChI=1S/C14H19NO3/c1-3-15(9-14(16)17)13-7-5-10-4-6-11(18-2)8-12(10)13/h4,6,8,13H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyZPEFVXVXKUFRQL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds5

About 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid

2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid (PubChem CID 79367822) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
PubChem CID79367822
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCc2ccc(OC)cc21
InChIInChI=1S/C14H19NO3/c1-3-15(9-14(16)17)13-7-5-10-4-6-11(18-2)8-12(10)13/h4,6,8,13H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyZPEFVXVXKUFRQL-UHFFFAOYSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79247936
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
CID 79368771
2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 107398041
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-ynylamino]acetic acid
CID 79287526
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
N'-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 79374274
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
2-[ethyl(4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]acetic acid
CID 115467449
6-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106604140

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid (CID 79367822) is 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid is CCN(CC(=O)O)C1CCc2ccc(OC)cc21.
What is the InChIKey of 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid?
The InChIKey is ZPEFVXVXKUFRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15(9-14(16)17)13-7-5-10-4-6-11(18-2)8-12(10)13/h4,6,8,13H,3,5,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid?
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid is sourced from PubChem (CID 79367822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).