3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid

C14H18N2O4 — CID 45126635

IUPAC3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10(8-14(19)20)7-12(17)15-16-13(18)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyRYTIHVIBLMDRIJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.88
Rot. Bonds6

About 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid

3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid (PubChem CID 45126635) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
PubChem CID45126635
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10(8-14(19)20)7-12(17)15-16-13(18)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyRYTIHVIBLMDRIJ-UHFFFAOYSA-N
XLogP0.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62942041
N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
CID 24637576
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
CID 79089982
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide
CID 58769252
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid (CID 45126635) is 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid is CC(CC(=O)O)CC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid?
The InChIKey is RYTIHVIBLMDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(8-14(19)20)7-12(17)15-16-13(18)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid?
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid is sourced from PubChem (CID 45126635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).