2-methyl-3-(2-methylpropylimino)pentanoic acid

C10H19NO2 — CID 91329202

IUPAC2-methyl-3-(2-methylpropylimino)pentanoic acid
SMILESCC/C(=N\CC(C)C)C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-9(8(4)10(12)13)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,12,13)/b11-9+
InChIKeyYZTQPRBAQOOYKE-PKNBQFBNSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-3-(2-methylpropylimino)pentanoic acid

2-methyl-3-(2-methylpropylimino)pentanoic acid (PubChem CID 91329202) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropylimino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropylimino)pentanoic acid
PubChem CID91329202
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-3-(2-methylpropylimino)pentanoic acid
SMILESCC/C(=N\CC(C)C)C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-9(8(4)10(12)13)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,12,13)/b11-9+
InChIKeyYZTQPRBAQOOYKE-PKNBQFBNSA-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'}

Analyze 2-methyl-3-(2-methylpropylimino)pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2,2-Difluoro-4-methyl-3-propan-2-yliminopentanoic acid
CID 166047489
4-Methyl-2-(4-oxopentan-2-ylideneamino)pentanoic acid
CID 91329894
4-Methyl-2-(2-methylpropylideneamino)pentanoic acid
CID 14469826
4-Ethyliminopentanoic acid
CID 20666902
2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175557
2-Ethyl-3-hexyliminobutanoic acid
CID 23175565
2-(N-butyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175577
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591
2-(N-hexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175593
3-Butylimino-2-methylbutanoic acid
CID 23175595
2-Methyl-3-pentyliminobutanoic acid
CID 23175599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropylimino)pentanoic acid?
The IUPAC name of 2-methyl-3-(2-methylpropylimino)pentanoic acid (CID 91329202) is 2-methyl-3-(2-methylpropylimino)pentanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpropylimino)pentanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylpropylimino)pentanoic acid is CC/C(=N\CC(C)C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methylpropylimino)pentanoic acid?
The InChIKey is YZTQPRBAQOOYKE-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(8(4)10(12)13)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,12,13)/b11-9+.
What are the key properties of 2-methyl-3-(2-methylpropylimino)pentanoic acid?
2-methyl-3-(2-methylpropylimino)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 2-methyl-3-(2-methylpropylimino)pentanoic acid is sourced from PubChem (CID 91329202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).