3-(3,3-dimethylbutylimino)-2-methylpropanoic acid

C10H19NO2 — CID 91526512

IUPAC3-(3,3-dimethylbutylimino)-2-methylpropanoic acid
SMILESCC(/C=N/CCC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(9(12)13)7-11-6-5-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,13)/b11-7+
InChIKeyOZNDNMXXWBYIBR-YRNVUSSQSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds4

About 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid

3-(3,3-dimethylbutylimino)-2-methylpropanoic acid (PubChem CID 91526512) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,3-dimethylbutylimino)-2-methylpropanoic acid
PubChem CID91526512
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(3,3-dimethylbutylimino)-2-methylpropanoic acid
SMILESCC(/C=N/CCC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(9(12)13)7-11-6-5-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,13)/b11-7+
InChIKeyOZNDNMXXWBYIBR-YRNVUSSQSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid?
The IUPAC name of 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid (CID 91526512) is 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid is CC(/C=N/CCC(C)(C)C)C(=O)O.
What is the InChIKey of 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid?
The InChIKey is OZNDNMXXWBYIBR-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(9(12)13)7-11-6-5-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,13)/b11-7+.
What are the key properties of 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid?
3-(3,3-dimethylbutylimino)-2-methylpropanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylimino)-2-methylpropanoic acid is sourced from PubChem (CID 91526512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).