5-(2-aminophenyl)-5-oxopentanoic acid

C11H13NO3 — CID 14382100

IUPAC5-(2-aminophenyl)-5-oxopentanoic acid
SMILESNc1ccccc1C(=O)CCCC(=O)O
InChIInChI=1S/C11H13NO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7,12H2,(H,14,15)
InChIKeyYBVJFTZHYVKQJD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.71
Rot. Bonds5

About 5-(2-aminophenyl)-5-oxopentanoic acid

5-(2-aminophenyl)-5-oxopentanoic acid (PubChem CID 14382100) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(2-aminophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-aminophenyl)-5-oxopentanoic acid
PubChem CID14382100
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-(2-aminophenyl)-5-oxopentanoic acid
SMILESNc1ccccc1C(=O)CCCC(=O)O
InChIInChI=1S/C11H13NO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7,12H2,(H,14,15)
InChIKeyYBVJFTZHYVKQJD-UHFFFAOYSA-N
XLogP1.71
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(2-aminophenyl)butan-1-one
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1-(2-aminophenyl)pentadecan-1-one
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1-(2-aminophenyl)octan-1-one
CID 64829239
methyl 5-(2-aminophenyl)-5-oxopentanoate
CID 14382097
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
7-(2-iodophenyl)-7-oxoheptanoic acid
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8-(2-methylphenyl)-8-oxooctanoic acid
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8-(2-fluorophenyl)-8-oxooctanoic acid
CID 24726960
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412
4-(2-aminophenyl)-2,4-dioxobutanoic acid
CID 472
1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
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CID 86718836

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-aminophenyl)-5-oxopentanoic acid (CID 14382100) is 5-(2-aminophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-aminophenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-aminophenyl)-5-oxopentanoic acid is Nc1ccccc1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-aminophenyl)-5-oxopentanoic acid?
The InChIKey is YBVJFTZHYVKQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7,12H2,(H,14,15).
What are the key properties of 5-(2-aminophenyl)-5-oxopentanoic acid?
5-(2-aminophenyl)-5-oxopentanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 14382100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).