2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid

C14H17NO4 — CID 60667849

IUPAC2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17NO4/c16-13(15-19-9-14(17)18)8-10-5-6-11-3-1-2-4-12(11)7-10/h5-7H,1-4,8-9H2,(H,15,16)(H,17,18)
InChIKeyHNHHIXBFHMFFNJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.24
Rot. Bonds5

About 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid

2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid (PubChem CID 60667849) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid
PubChem CID60667849
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17NO4/c16-13(15-19-9-14(17)18)8-10-5-6-11-3-1-2-4-12(11)7-10/h5-7H,1-4,8-9H2,(H,15,16)(H,17,18)
InChIKeyHNHHIXBFHMFFNJ-UHFFFAOYSA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
CID 79469532
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
CID 87566146
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 107845444
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid (CID 60667849) is 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid?
The InChIKey is HNHHIXBFHMFFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-19-9-14(17)18)8-10-5-6-11-3-1-2-4-12(11)7-10/h5-7H,1-4,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid?
2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.24, 5 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-yl)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 60667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).