(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid

C14H19NO4 — CID 135937367

IUPAC(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid
SMILESCOc1ccc(/C=N/[C@@H](CC(C)C)C(=O)O)c(O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)6-12(14(17)18)15-8-10-4-5-11(19-3)7-13(10)16/h4-5,7-9,12,16H,6H2,1-3H3,(H,17,18)/b15-8+/t12-/m0/s1
InChIKeyRKHNUMHVZMRENO-AAWHYMEISA-N
MW265.31 g/mol
LogP2.32
Rot. Bonds6

About (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid

(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid (PubChem CID 135937367) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid
PubChem CID135937367
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid
SMILESCOc1ccc(/C=N/[C@@H](CC(C)C)C(=O)O)c(O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)6-12(14(17)18)15-8-10-4-5-11(19-3)7-13(10)16/h4-5,7-9,12,16H,6H2,1-3H3,(H,17,18)/b15-8+/t12-/m0/s1
InChIKeyRKHNUMHVZMRENO-AAWHYMEISA-N
XLogP2.32
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
CID 135509459
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
(2S)-2-[(2,4-dihydroxyphenyl)methylideneamino]-4-methylsulfanylbutanoic acid
CID 135937270
(2S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135929337
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
methyl 2-[(2-hydroxy-4-tetradecoxyphenyl)methylideneamino]-3-phenylpropanoate
CID 171919299
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
(2S)-2-[[4-[3-[[(1S)-1-carboxy-3-methylbutyl]iminomethyl]-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalen-2-yl]methylideneamino]-4-methylpentanoic acid;oxo(oxovanadiooxy)vanadium
CID 135477843
(2S)-2-[[4-[3-[[(1S)-1-carboxy-2-(4-methoxyphenyl)ethyl]iminomethyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methylideneamino]-3-(4-methoxyphenyl)propanoic acid
CID 136704203

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid (CID 135937367) is (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid is COc1ccc(/C=N/[C@@H](CC(C)C)C(=O)O)c(O)c1.
What is the InChIKey of (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid?
The InChIKey is RKHNUMHVZMRENO-AAWHYMEISA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)6-12(14(17)18)15-8-10-4-5-11(19-3)7-13(10)16/h4-5,7-9,12,16H,6H2,1-3H3,(H,17,18)/b15-8+/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid?
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid is sourced from PubChem (CID 135937367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).