5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid

C15H20N2O5 — CID 4949715

IUPAC5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCc1ccc(OCC(=O)NNC(=O)CCCC(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O5/c1-10-6-7-12(11(2)8-10)22-9-14(19)17-16-13(18)4-3-5-15(20)21/h6-8H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyHCEUFFOWJSPGRN-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.08
Rot. Bonds7

About 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid

5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid (PubChem CID 4949715) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
PubChem CID4949715
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCc1ccc(OCC(=O)NNC(=O)CCCC(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O5/c1-10-6-7-12(11(2)8-10)22-9-14(19)17-16-13(18)4-3-5-15(20)21/h6-8H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyHCEUFFOWJSPGRN-UHFFFAOYSA-N
XLogP1.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954150
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922707
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 4119313
2-phenylethyl 4-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 4946919
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid (CID 4949715) is 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid is Cc1ccc(OCC(=O)NNC(=O)CCCC(=O)O)c(C)c1.
What is the InChIKey of 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The InChIKey is HCEUFFOWJSPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10-6-7-12(11(2)8-10)22-9-14(19)17-16-13(18)4-3-5-15(20)21/h6-8H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 4949715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).