(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid

C11H13NO5 — CID 126251082

IUPAC(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(C=NO)c1O[C@H](C)C(=O)O
InChIInChI=1S/C11H13NO5/c1-7(11(13)14)17-10-8(6-12-15)4-3-5-9(10)16-2/h3-7,15H,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyKFMMPELILLYAQG-SSDOTTSWSA-N
MW239.23 g/mol
LogP1.36
Rot. Bonds5

About (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid

(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid (PubChem CID 126251082) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
PubChem CID126251082
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(C=NO)c1O[C@H](C)C(=O)O
InChIInChI=1S/C11H13NO5/c1-7(11(13)14)17-10-8(6-12-15)4-3-5-9(10)16-2/h3-7,15H,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyKFMMPELILLYAQG-SSDOTTSWSA-N
XLogP1.36
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(2R)-2-[2-methoxy-6-[(2-methoxyphenyl)iminomethyl]phenoxy]propanoic acid
CID 126243355
(2S)-2-[2-methoxy-6-[(3-methylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126247853
(2S)-2-[2-[(3-bromophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126236940
(2R)-2-[2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126245097
2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3294839
(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126247832
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
5-[[2-[(1S)-1-carboxyethoxy]-3-methoxyphenyl]methylideneamino]-2-chlorobenzoic acid
CID 126238876
(2S)-2-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126239591
(2S)-2-[2-methoxy-6-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 126240172
(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126238421
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid (CID 126251082) is (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid is COc1cccc(C=NO)c1O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid?
The InChIKey is KFMMPELILLYAQG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13NO5/c1-7(11(13)14)17-10-8(6-12-15)4-3-5-9(10)16-2/h3-7,15H,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid?
(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 126251082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).