5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid

C14H18N2O5 — CID 4949760

IUPAC5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCc1cccc(OCC(=O)NNC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-10-4-2-5-11(8-10)21-9-13(18)16-15-12(17)6-3-7-14(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeySAALPBWIGANFAG-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.78
Rot. Bonds7

About 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid

5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid (PubChem CID 4949760) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
PubChem CID4949760
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCc1cccc(OCC(=O)NNC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-10-4-2-5-11(8-10)21-9-13(18)16-15-12(17)6-3-7-14(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeySAALPBWIGANFAG-UHFFFAOYSA-N
XLogP0.78
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.78
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

methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949715
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949711
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyldisulfanyl]propanoic acid
CID 166422763
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
3-(2-methoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 26901623
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid (CID 4949760) is 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid is Cc1cccc(OCC(=O)NNC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
The InChIKey is SAALPBWIGANFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10-4-2-5-11(8-10)21-9-13(18)16-15-12(17)6-3-7-14(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid?
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 4949760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).