4-(dimethylamino)-2-methylidenepentanoic acid

C8H15NO2 — CID 10351935

IUPAC4-(dimethylamino)-2-methylidenepentanoic acid
SMILESC=C(CC(C)N(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)5-7(2)9(3)4/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyJAAFHQGVTDIFQX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.97
Rot. Bonds4

About 4-(dimethylamino)-2-methylidenepentanoic acid

4-(dimethylamino)-2-methylidenepentanoic acid (PubChem CID 10351935) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylidenepentanoic acid
PubChem CID10351935
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(dimethylamino)-2-methylidenepentanoic acid
SMILESC=C(CC(C)N(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)5-7(2)9(3)4/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyJAAFHQGVTDIFQX-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-2-methylidenepentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylidenepentanoic acid?
The IUPAC name of 4-(dimethylamino)-2-methylidenepentanoic acid (CID 10351935) is 4-(dimethylamino)-2-methylidenepentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-methylidenepentanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-methylidenepentanoic acid is C=C(CC(C)N(C)C)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-methylidenepentanoic acid?
The InChIKey is JAAFHQGVTDIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(10)11)5-7(2)9(3)4/h7H,1,5H2,2-4H3,(H,10,11).
What are the key properties of 4-(dimethylamino)-2-methylidenepentanoic acid?
4-(dimethylamino)-2-methylidenepentanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylidenepentanoic acid is sourced from PubChem (CID 10351935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).