2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid

C14H19NO3 — CID 94689863

IUPAC2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO3/c16-14(17)10-15-7-8-18-13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,15H,1-4,7-8,10H2,(H,16,17)
InChIKeyVKKQJRJTIXMSKA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid

2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid (PubChem CID 94689863) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
PubChem CID94689863
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO3/c16-14(17)10-15-7-8-18-13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,15H,1-4,7-8,10H2,(H,16,17)
InChIKeyVKKQJRJTIXMSKA-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
2-(2-phenoxyethylamino)acetic acid
CID 13236095
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid?
The IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid (CID 94689863) is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid is O=C(O)CNCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid?
The InChIKey is VKKQJRJTIXMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)10-15-7-8-18-13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,15H,1-4,7-8,10H2,(H,16,17).
What are the key properties of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid?
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid is sourced from PubChem (CID 94689863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).