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

C14H18N2O6 — CID 4949711

IUPAC5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCOc1ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C14H18N2O6/c1-21-10-5-7-11(8-6-10)22-9-13(18)16-15-12(17)3-2-4-14(19)20/h5-8H,2-4,9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyCQXGYRWERBLIET-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.48
Rot. Bonds8

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

5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid (PubChem CID 4949711) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
PubChem CID4949711
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCOc1ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C14H18N2O6/c1-21-10-5-7-11(8-6-10)22-9-13(18)16-15-12(17)3-2-4-14(19)20/h5-8H,2-4,9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyCQXGYRWERBLIET-UHFFFAOYSA-N
XLogP0.48
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 2372591
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid (CID 4949711) is 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid is COc1ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The InChIKey is CQXGYRWERBLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-21-10-5-7-11(8-6-10)22-9-13(18)16-15-12(17)3-2-4-14(19)20/h5-8H,2-4,9H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid has a molecular weight of 310.31 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 4949711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).