ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate

C16H24N2O3 — CID 142714254

IUPACethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate
SMILESCCOC(=O)[C@@H](NNC(=O)c1ccccc1)C(C)(C)CC
InChIInChI=1S/C16H24N2O3/c1-5-16(3,4)13(15(20)21-6-2)17-18-14(19)12-10-8-7-9-11-12/h7-11,13,17H,5-6H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyOOHBSAOJJZXOPJ-CYBMUJFWSA-N
MW292.38 g/mol
LogP2.29
Rot. Bonds7

About ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate

ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate (PubChem CID 142714254) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate
PubChem CID142714254
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate
SMILESCCOC(=O)[C@@H](NNC(=O)c1ccccc1)C(C)(C)CC
InChIInChI=1S/C16H24N2O3/c1-5-16(3,4)13(15(20)21-6-2)17-18-14(19)12-10-8-7-9-11-12/h7-11,13,17H,5-6H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyOOHBSAOJJZXOPJ-CYBMUJFWSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
CID 142714255
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
ethyl 3,3-dimethyl-2-(4-methylanilino)pentanoate
CID 162373666
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
ethyl 2-benzamido-3-tert-butylsulfanylpropanoate
CID 68746269
ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate?
The IUPAC name of ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate (CID 142714254) is ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate.
What is the SMILES notation for ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate?
The canonical SMILES for ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate is CCOC(=O)[C@@H](NNC(=O)c1ccccc1)C(C)(C)CC.
What is the InChIKey of ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate?
The InChIKey is OOHBSAOJJZXOPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-16(3,4)13(15(20)21-6-2)17-18-14(19)12-10-8-7-9-11-12/h7-11,13,17H,5-6H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate?
ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate is sourced from PubChem (CID 142714254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).