2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid

C12H15N3O4 — CID 43442467

IUPAC2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H15N3O4/c1-15(8-11(17)18)7-10(16)13-14-12(19)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyNPJCSSLKVKOATE-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.54
Rot. Bonds5

About 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442467) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442467
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H15N3O4/c1-15(8-11(17)18)7-10(16)13-14-12(19)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyNPJCSSLKVKOATE-UHFFFAOYSA-N
XLogP-0.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
CID 47123165
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
N'-heptanoylbenzohydrazide
CID 4218130
N'-octanoylbenzohydrazide
CID 4227469

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid (CID 43442467) is 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is NPJCSSLKVKOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15(8-11(17)18)7-10(16)13-14-12(19)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 265.27 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).