4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid

C17H25N3O3 — CID 11278618

IUPAC4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid
SMILESC/C(CCC(=O)O)=N\[C@@H](CC(C)C)C(=O)NNc1ccccc1
InChIInChI=1S/C17H25N3O3/c1-12(2)11-15(18-13(3)9-10-16(21)22)17(23)20-19-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3,(H,20,23)(H,21,22)/b18-13+/t15-/m0/s1
InChIKeyCZNOILCXDSZYAU-VUODPORTSA-N
MW319.40 g/mol
LogP2.87
Rot. Bonds9

About 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid

4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid (PubChem CID 11278618) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid.

Molecular Properties

Compound Name4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid
PubChem CID11278618
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid
SMILESC/C(CCC(=O)O)=N\[C@@H](CC(C)C)C(=O)NNc1ccccc1
InChIInChI=1S/C17H25N3O3/c1-12(2)11-15(18-13(3)9-10-16(21)22)17(23)20-19-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3,(H,20,23)(H,21,22)/b18-13+/t15-/m0/s1
InChIKeyCZNOILCXDSZYAU-VUODPORTSA-N
XLogP2.87
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-4-methylsulfanyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]iminopentanoic acid
CID 11198515
2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
CID 1239861
2-(benzhydrylideneamino)-4-methylpentanoic acid
CID 87285851
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
CID 131873051
(2S)-2-amino-N',3-diphenylpropanehydrazide
CID 11379833
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
2-(2-hydroxyphenyl)-N'-phenylacetohydrazide
CID 23052266
1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
CID 5088249
2-isocyano-4-methyl-N-phenylpentanamide
CID 71322028

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid?
The IUPAC name of 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid (CID 11278618) is 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid.
What is the SMILES notation for 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid?
The canonical SMILES for 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid is C/C(CCC(=O)O)=N\[C@@H](CC(C)C)C(=O)NNc1ccccc1.
What is the InChIKey of 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid?
The InChIKey is CZNOILCXDSZYAU-VUODPORTSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)11-15(18-13(3)9-10-16(21)22)17(23)20-19-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3,(H,20,23)(H,21,22)/b18-13+/t15-/m0/s1.
What are the key properties of 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid?
4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid has a molecular weight of 319.40 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid is sourced from PubChem (CID 11278618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).