2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid

C12H25NO2 — CID 115001634

IUPAC2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid
SMILESCC(C)(C)CC(C)(C)NC(C)(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-10(2,3)8-11(4,5)13-12(6,7)9(14)15/h13H,8H2,1-7H3,(H,14,15)
InChIKeyIQAVQZKHWOYFJZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid

2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid (PubChem CID 115001634) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid
PubChem CID115001634
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid
SMILESCC(C)(C)CC(C)(C)NC(C)(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-10(2,3)8-11(4,5)13-12(6,7)9(14)15/h13H,8H2,1-7H3,(H,14,15)
InChIKeyIQAVQZKHWOYFJZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic 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 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid (CID 115001634) is 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid is CC(C)(C)CC(C)(C)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid?
The InChIKey is IQAVQZKHWOYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2,3)8-11(4,5)13-12(6,7)9(14)15/h13H,8H2,1-7H3,(H,14,15).
What are the key properties of 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid?
2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid is sourced from PubChem (CID 115001634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).