(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid

C20H26N2O2 — CID 72736743

IUPAC(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NN(Cc1ccccc1)Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H26N2O2/c1-16(2)13-19(20(23)24)21-22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyGEYSIZHSZDVMIU-IBGZPJMESA-N
MW326.44 g/mol
LogP3.69
Rot. Bonds9

About (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid

(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid (PubChem CID 72736743) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
PubChem CID72736743
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NN(Cc1ccccc1)Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H26N2O2/c1-16(2)13-19(20(23)24)21-22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyGEYSIZHSZDVMIU-IBGZPJMESA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2S)-4-methyl-2-(2-nitro-2-phenylhydrazinyl)pentanoic acid
CID 155092384
(2S)-4-methyl-2-[[(2R)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]pentanoic acid
CID 10064687
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 121452393
(2S)-2-[[(2S)-1,1-dihydroxy-3-phenylpropan-2-yl]amino]-4-methylpentanoic acid
CID 142163724
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120516084
(2R)-4-methyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]pentanoic acid
CID 87903352
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;molecular hydrogen
CID 159435326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid (CID 72736743) is (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid is CC(C)C[C@H](NN(Cc1ccccc1)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid?
The InChIKey is GEYSIZHSZDVMIU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16(2)13-19(20(23)24)21-22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid?
(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid has a molecular weight of 326.44 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid is sourced from PubChem (CID 72736743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).