2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid

C16H24N2O3 — CID 3152084

IUPAC2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
SMILESCCCCC(C(=O)O)C(C)CC(=O)NNc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-4-10-14(16(20)21)12(2)11-15(19)18-17-13-8-6-5-7-9-13/h5-9,12,14,17H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNSLSFEASCLMMRX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.05
Rot. Bonds9

About 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid

2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid (PubChem CID 3152084) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid.

Molecular Properties

Compound Name2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
PubChem CID3152084
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
SMILESCCCCC(C(=O)O)C(C)CC(=O)NNc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-4-10-14(16(20)21)12(2)11-15(19)18-17-13-8-6-5-7-9-13/h5-9,12,14,17H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNSLSFEASCLMMRX-UHFFFAOYSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
CID 7453083
2-[4-[2-(2-bromobenzoyl)hydrazinyl]-4-oxobutan-2-yl]hexanoic acid
CID 3808941
sodium 5-(2-chloroanilino)-3-methyl-5-oxo-2-propylpentanoic acid
CID 126467976
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
5-butylnonan-5-yl N-anilinocarbamate
CID 102032688
(2S)-2-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 7008015
2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 3125314
(2R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]hexanoic acid
CID 90326409
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
5-(N-chloroanilino)-3-methyl-5-oxo-2-propylpentanoic acid
CID 20980752
butyl N-anilinocarbamate
CID 57279128
2-methyl-3-phenylmethoxycarbonylheptanoic acid
CID 140595868

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
The IUPAC name of 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid (CID 3152084) is 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid.
What is the SMILES notation for 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
The canonical SMILES for 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid is CCCCC(C(=O)O)C(C)CC(=O)NNc1ccccc1.
What is the InChIKey of 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
The InChIKey is NSLSFEASCLMMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-10-14(16(20)21)12(2)11-15(19)18-17-13-8-6-5-7-9-13/h5-9,12,14,17H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid is sourced from PubChem (CID 3152084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).