2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

C15H21NO3 — CID 79248400

IUPAC2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCCc2ccc(OC)cc21
InChIInChI=1S/C15H21NO3/c1-3-16(10-15(17)18)14-6-4-5-11-7-8-12(19-2)9-13(11)14/h7-9,14H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyQTWYDJOQQQNCFT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds5

About 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (PubChem CID 79248400) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
PubChem CID79248400
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCCc2ccc(OC)cc21
InChIInChI=1S/C15H21NO3/c1-3-16(10-15(17)18)14-6-4-5-11-7-8-12(19-2)9-13(11)14/h7-9,14H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyQTWYDJOQQQNCFT-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79247936
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
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
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
2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 107398041
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
CID 79368771
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (CID 79248400) is 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is CCN(CC(=O)O)C1CCCc2ccc(OC)cc21.
What is the InChIKey of 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The InChIKey is QTWYDJOQQQNCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16(10-15(17)18)14-6-4-5-11-7-8-12(19-2)9-13(11)14/h7-9,14H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 79248400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).