(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid

C17H26N2O3 — CID 7453083

IUPAC(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
SMILESCC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-15(17(21)22)13(3)11-16(20)19-18-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,19,20)(H,21,22)/t13-,15+/m1/s1
InChIKeyZBNYJAPDHWMUDM-HIFRSBDPSA-N
MW306.41 g/mol
LogP3.29
Rot. Bonds9

About (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid

(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid (PubChem CID 7453083) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid.

Molecular Properties

Compound Name(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
PubChem CID7453083
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
SMILESCC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-15(17(21)22)13(3)11-16(20)19-18-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,19,20)(H,21,22)/t13-,15+/m1/s1
InChIKeyZBNYJAPDHWMUDM-HIFRSBDPSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.29
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

2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
CID 3152084
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
sodium 2-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoate
CID 45126639
sodium 5-(2-chloroanilino)-3-methyl-5-oxo-2-propylpentanoic acid
CID 126467976
2-[4-[2-(2-bromobenzoyl)hydrazinyl]-4-oxobutan-2-yl]hexanoic acid
CID 3808941
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
2-fluoro-N'-phenylacetohydrazide
CID 16862
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid
CID 2068410
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768
2-(2-phenylhydrazinyl)propanoic acid
CID 77247806

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
The IUPAC name of (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid (CID 7453083) is (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid.
What is the SMILES notation for (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
The canonical SMILES for (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid is CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNc1ccccc1.
What is the InChIKey of (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
The InChIKey is ZBNYJAPDHWMUDM-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-10-15(17(21)22)13(3)11-16(20)19-18-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,19,20)(H,21,22)/t13-,15+/m1/s1.
What are the key properties of (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid?
(2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid has a molecular weight of 306.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-2-[(2R)-4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid is sourced from PubChem (CID 7453083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).