(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid

C17H17N3O4 — CID 124649475

IUPAC(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H17N3O4/c1-12(16(21)22)24-15-9-7-13(8-10-15)11-18-20-17(23)19-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22)(H2,19,20,23)/b18-11+/t12-/m1/s1
InChIKeyDHMOCDLGEKRKJF-MBNTZHJCSA-N
MW327.34 g/mol
LogP2.69
Rot. Bonds6

About (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid

(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid (PubChem CID 124649475) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
PubChem CID124649475
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H17N3O4/c1-12(16(21)22)24-15-9-7-13(8-10-15)11-18-20-17(23)19-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22)(H2,19,20,23)/b18-11+/t12-/m1/s1
InChIKeyDHMOCDLGEKRKJF-MBNTZHJCSA-N
XLogP2.69
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110536999
2-(4-anilinophenoxy)propanoic acid
CID 43519559
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
1-[(E)-[4-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 45146203
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
CID 6957334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid (CID 124649475) is (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid is C[C@@H](Oc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid?
The InChIKey is DHMOCDLGEKRKJF-MBNTZHJCSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12(16(21)22)24-15-9-7-13(8-10-15)11-18-20-17(23)19-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22)(H2,19,20,23)/b18-11+/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid?
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid has a molecular weight of 327.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid is sourced from PubChem (CID 124649475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).