benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate

C24H26N2O4 — CID 165116977

IUPACbenzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate
SMILESC[C@@](Cc1ccc(O)c(OCc2ccccc2)c1)(NN)C(=O)OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-24(26-25,23(28)30-17-19-10-6-3-7-11-19)15-20-12-13-21(27)22(14-20)29-16-18-8-4-2-5-9-18/h2-14,26-27H,15-17,25H2,1H3/t24-/m0/s1
InChIKeyQVXVYGOIEZVIPO-DEOSSOPVSA-N
MW406.48 g/mol
LogP3.48
Rot. Bonds9

About benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate

benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate (PubChem CID 165116977) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate
PubChem CID165116977
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namebenzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate
SMILESC[C@@](Cc1ccc(O)c(OCc2ccccc2)c1)(NN)C(=O)OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-24(26-25,23(28)30-17-19-10-6-3-7-11-19)15-20-12-13-21(27)22(14-20)29-16-18-8-4-2-5-9-18/h2-14,26-27H,15-17,25H2,1H3/t24-/m0/s1
InChIKeyQVXVYGOIEZVIPO-DEOSSOPVSA-N
XLogP3.48
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methyl-2-[2-[4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]propanoate
CID 165117038
2-hydrazinyl-3-[4-hydroxy-3-(phosphonooxymethoxy)phenyl]-2-methylpropanoic acid
CID 121282423
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
3-(3,4-dihydroxyphenyl)-2-methyl-2-(2-phenylmethoxycarbonylhydrazinyl)propanoic acid
CID 121282456
3-(4-hydroxy-3-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 121282452
[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 121288702
benzyl 3-hydrazinyl-2,2-dimethyl-3-oxopropanoate
CID 134573796
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
3-amino-3-(4-hydroxy-3-phenylmethoxyphenyl)propanoic acid
CID 117463513
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
benzyl 3-(2-hydroxyphenyl)-2,2-dimethylpropanoate
CID 168825987
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
The IUPAC name of benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate (CID 165116977) is benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate.
What is the SMILES notation for benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
The canonical SMILES for benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate is C[C@@](Cc1ccc(O)c(OCc2ccccc2)c1)(NN)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
The InChIKey is QVXVYGOIEZVIPO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(26-25,23(28)30-17-19-10-6-3-7-11-19)15-20-12-13-21(27)22(14-20)29-16-18-8-4-2-5-9-18/h2-14,26-27H,15-17,25H2,1H3/t24-/m0/s1.
What are the key properties of benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate has a molecular weight of 406.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 165116977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).