2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid

C10H19NO3 — CID 167352466

IUPAC2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid
SMILESC/C(CC(C)C)=N\OC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(2)6-8(3)11-14-10(4,5)9(12)13/h7H,6H2,1-5H3,(H,12,13)/b11-8+
InChIKeyZIHYTFWMDQZARF-DHZHZOJOSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds5

About 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid

2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid (PubChem CID 167352466) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid
PubChem CID167352466
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid
SMILESC/C(CC(C)C)=N\OC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(2)6-8(3)11-14-10(4,5)9(12)13/h7H,6H2,1-5H3,(H,12,13)/b11-8+
InChIKeyZIHYTFWMDQZARF-DHZHZOJOSA-N
XLogP2.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid?
The IUPAC name of 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid (CID 167352466) is 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid.
What is the SMILES notation for 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid?
The canonical SMILES for 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid is C/C(CC(C)C)=N\OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid?
The InChIKey is ZIHYTFWMDQZARF-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-8(3)11-14-10(4,5)9(12)13/h7H,6H2,1-5H3,(H,12,13)/b11-8+.
What are the key properties of 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid?
2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid is sourced from PubChem (CID 167352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).