methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate

C15H20N2O3 — CID 102456070

IUPACmethyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate
SMILESC=C[C@H](C)[C@@](C)(NNC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H20N2O3/c1-5-11(2)15(3,14(19)20-4)17-16-13(18)12-9-7-6-8-10-12/h5-11,17H,1H2,2-4H3,(H,16,18)/t11-,15+/m0/s1
InChIKeyLSNGTVQLPMLZLY-XHDPSFHLSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds6

About methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate

methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate (PubChem CID 102456070) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate
PubChem CID102456070
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate
SMILESC=C[C@H](C)[C@@](C)(NNC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H20N2O3/c1-5-11(2)15(3,14(19)20-4)17-16-13(18)12-9-7-6-8-10-12/h5-11,17H,1H2,2-4H3,(H,16,18)/t11-,15+/m0/s1
InChIKeyLSNGTVQLPMLZLY-XHDPSFHLSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide
CID 101191316
N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide
CID 101191321
N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide
CID 101191317
methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
CID 101185727
methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
CID 101027737
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
methyl 2-methyl-2-(1-phenylethyl)but-3-enoate
CID 174886217
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
CID 15422396
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate?
The IUPAC name of methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate (CID 102456070) is methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate.
What is the SMILES notation for methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate?
The canonical SMILES for methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate is C=C[C@H](C)[C@@](C)(NNC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate?
The InChIKey is LSNGTVQLPMLZLY-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-11(2)15(3,14(19)20-4)17-16-13(18)12-9-7-6-8-10-12/h5-11,17H,1H2,2-4H3,(H,16,18)/t11-,15+/m0/s1.
What are the key properties of methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate?
methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate has a molecular weight of 276.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate is sourced from PubChem (CID 102456070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).