(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid

C23H22N2O6 — CID 126238421

IUPAC(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
SMILESCOc1cccc(/C=N/NC(=O)COc2cccc3ccccc23)c1O[C@@H](C)C(=O)O
InChIInChI=1S/C23H22N2O6/c1-15(23(27)28)31-22-17(9-6-12-20(22)29-2)13-24-25-21(26)14-30-19-11-5-8-16-7-3-4-10-18(16)19/h3-13,15H,14H2,1-2H3,(H,25,26)(H,27,28)/b24-13+/t15-/m0/s1
InChIKeyPFDLPMFHDCNHCF-MMTYYTLLSA-N
MW422.44 g/mol
LogP3.23
Rot. Bonds9

About (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid

(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid (PubChem CID 126238421) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
PubChem CID126238421
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
SMILESCOc1cccc(/C=N/NC(=O)COc2cccc3ccccc23)c1O[C@@H](C)C(=O)O
InChIInChI=1S/C23H22N2O6/c1-15(23(27)28)31-22-17(9-6-12-20(22)29-2)13-24-25-21(26)14-30-19-11-5-8-16-7-3-4-10-18(16)19/h3-13,15H,14H2,1-2H3,(H,25,26)(H,27,28)/b24-13+/t15-/m0/s1
InChIKeyPFDLPMFHDCNHCF-MMTYYTLLSA-N
XLogP3.23
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
(2S)-2-[2-methoxy-6-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 126240172
(2S)-2-[2-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126236865
2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3294839
(2S)-2-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126239591
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 1365002
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
CID 126251082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid (CID 126238421) is (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid is COc1cccc(/C=N/NC(=O)COc2cccc3ccccc23)c1O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
The InChIKey is PFDLPMFHDCNHCF-MMTYYTLLSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15(23(27)28)31-22-17(9-6-12-20(22)29-2)13-24-25-21(26)14-30-19-11-5-8-16-7-3-4-10-18(16)19/h3-13,15H,14H2,1-2H3,(H,25,26)(H,27,28)/b24-13+/t15-/m0/s1.
What are the key properties of (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid has a molecular weight of 422.44 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 126238421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).