6-hydrazinyl-6-oxo-5-phenylhexanoic acid

C12H16N2O3 — CID 67909568

IUPAC6-hydrazinyl-6-oxo-5-phenylhexanoic acid
SMILESNNC(=O)C(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c13-14-12(17)10(7-4-8-11(15)16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,17)(H,15,16)
InChIKeyORLSAMUTYFMCQN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.01
Rot. Bonds6

About 6-hydrazinyl-6-oxo-5-phenylhexanoic acid

6-hydrazinyl-6-oxo-5-phenylhexanoic acid (PubChem CID 67909568) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-hydrazinyl-6-oxo-5-phenylhexanoic acid.

Molecular Properties

Compound Name6-hydrazinyl-6-oxo-5-phenylhexanoic acid
PubChem CID67909568
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-hydrazinyl-6-oxo-5-phenylhexanoic acid
SMILESNNC(=O)C(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c13-14-12(17)10(7-4-8-11(15)16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,17)(H,15,16)
InChIKeyORLSAMUTYFMCQN-UHFFFAOYSA-N
XLogP1.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyloctadecanedioic acid
CID 23016344
5-phenylnonanedioic acid
CID 54103206
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
5-bromo-5-phenylpentanoic acid
CID 174858341
2-phenylpropanedihydrazide
CID 11424318
3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
6-[methyl(2-phenylethyl)amino]-6-oxo-5-phenylhexanoic acid
CID 69405899
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide
CID 115562539
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
CID 64565017
2-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
6-(2,2-diphenylethoxy)-6-oxohexanoic acid
CID 141096193

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-6-oxo-5-phenylhexanoic acid?
The IUPAC name of 6-hydrazinyl-6-oxo-5-phenylhexanoic acid (CID 67909568) is 6-hydrazinyl-6-oxo-5-phenylhexanoic acid.
What is the SMILES notation for 6-hydrazinyl-6-oxo-5-phenylhexanoic acid?
The canonical SMILES for 6-hydrazinyl-6-oxo-5-phenylhexanoic acid is NNC(=O)C(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 6-hydrazinyl-6-oxo-5-phenylhexanoic acid?
The InChIKey is ORLSAMUTYFMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-14-12(17)10(7-4-8-11(15)16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 6-hydrazinyl-6-oxo-5-phenylhexanoic acid?
6-hydrazinyl-6-oxo-5-phenylhexanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-6-oxo-5-phenylhexanoic acid is sourced from PubChem (CID 67909568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).