4-methyl-2-(2-methylpropylideneamino)pentanoic acid

C10H19NO2 — CID 14469826

IUPAC4-methyl-2-(2-methylpropylideneamino)pentanoic acid
SMILESCC(C)/C=N/C(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)5-9(10(12)13)11-6-8(3)4/h6-9H,5H2,1-4H3,(H,12,13)/b11-6+
InChIKeyPQAVGZOTYQXCDF-IZZDOVSWSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds5

About 4-methyl-2-(2-methylpropylideneamino)pentanoic acid

4-methyl-2-(2-methylpropylideneamino)pentanoic acid (PubChem CID 14469826) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropylideneamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropylideneamino)pentanoic acid
PubChem CID14469826
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-2-(2-methylpropylideneamino)pentanoic acid
SMILESCC(C)/C=N/C(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)5-9(10(12)13)11-6-8(3)4/h6-9H,5H2,1-4H3,(H,12,13)/b11-6+
InChIKeyPQAVGZOTYQXCDF-IZZDOVSWSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 4-methyl-2-(2-methylpropylideneamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylpropylideneamino)pentanoic acid (CID 14469826) is 4-methyl-2-(2-methylpropylideneamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpropylideneamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylpropylideneamino)pentanoic acid is CC(C)/C=N/C(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpropylideneamino)pentanoic acid?
The InChIKey is PQAVGZOTYQXCDF-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)5-9(10(12)13)11-6-8(3)4/h6-9H,5H2,1-4H3,(H,12,13)/b11-6+.
What are the key properties of 4-methyl-2-(2-methylpropylideneamino)pentanoic acid?
4-methyl-2-(2-methylpropylideneamino)pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropylideneamino)pentanoic acid is sourced from PubChem (CID 14469826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).