2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

C10H19N3O4 — CID 63064504

IUPAC2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)NNC(=O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C10H19N3O4/c1-7(2)4-13(6-10(16)17)5-9(15)12-11-8(3)14/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyXAYYEKFFHSDOLZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.80
Rot. Bonds6

About 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63064504) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63064504
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)NNC(=O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C10H19N3O4/c1-7(2)4-13(6-10(16)17)5-9(15)12-11-8(3)14/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyXAYYEKFFHSDOLZ-UHFFFAOYSA-N
XLogP-0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.80
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (CID 63064504) is 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is CC(=O)NNC(=O)CN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is XAYYEKFFHSDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(2)4-13(6-10(16)17)5-9(15)12-11-8(3)14/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).