2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid

C19H28N2O5 — CID 136720858

IUPAC2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid
SMILESCc1ccc(O)c(/C(CCCCCCCCC(=O)NCC(=O)O)=N\O)c1
InChIInChI=1S/C19H28N2O5/c1-14-10-11-17(22)15(12-14)16(21-26)8-6-4-2-3-5-7-9-18(23)20-13-19(24)25/h10-12,22,26H,2-9,13H2,1H3,(H,20,23)(H,24,25)/b21-16-
InChIKeyFLWYGPZJEAWAET-PGMHBOJBSA-N
MW364.44 g/mol
LogP3.20
Rot. Bonds12

About 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid

2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid (PubChem CID 136720858) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid
PubChem CID136720858
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid
SMILESCc1ccc(O)c(/C(CCCCCCCCC(=O)NCC(=O)O)=N\O)c1
InChIInChI=1S/C19H28N2O5/c1-14-10-11-17(22)15(12-14)16(21-26)8-6-4-2-3-5-7-9-18(23)20-13-19(24)25/h10-12,22,26H,2-9,13H2,1H3,(H,20,23)(H,24,25)/b21-16-
InChIKeyFLWYGPZJEAWAET-PGMHBOJBSA-N
XLogP3.20
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[12-(2-hydroxy-5-methylphenyl)-12-oxododecanoyl]amino]acetic acid
CID 4106169
2-[(E)-N-hydroxy-C-[(11E)-11-hydroxyimino-11-(2-hydroxy-5-methylphenyl)undecyl]carbonimidoyl]-4-methylphenol
CID 135684564
2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
CID 135948988
6-hydroxyimino-6-(2-hydroxy-4-methylphenyl)hexanoic acid
CID 4293573
(6E)-6-hydroxyimino-6-(2-hydroxy-4-methylphenyl)hexanoic acid
CID 135589146
3-[(Z)-1-(2-hydroxy-5-methylphenyl)dodecylideneamino]oxypropanoic acid
CID 136658473
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
CID 43465546
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 3353937
2-[(Z)-N-anilino-C-[(11Z)-11-(2-hydroxy-4-methylphenyl)-11-(phenylhydrazinylidene)undecyl]carbonimidoyl]-5-methylphenol
CID 136886923
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135589132

Frequently Asked Questions

What is the IUPAC name of 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid?
The IUPAC name of 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid (CID 136720858) is 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid is Cc1ccc(O)c(/C(CCCCCCCCC(=O)NCC(=O)O)=N\O)c1.
What is the InChIKey of 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid?
The InChIKey is FLWYGPZJEAWAET-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-14-10-11-17(22)15(12-14)16(21-26)8-6-4-2-3-5-7-9-18(23)20-13-19(24)25/h10-12,22,26H,2-9,13H2,1H3,(H,20,23)(H,24,25)/b21-16-.
What are the key properties of 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid?
2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid has a molecular weight of 364.44 g/mol, XLogP of 3.20, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid is sourced from PubChem (CID 136720858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).