2-[methyl(propan-2-yl)amino]acetic acid

C6H13NO2 — CID 22015279

IUPAC2-[methyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(2)7(3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyRMLIHPQMHVOHNZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.41
Rot. Bonds3

About 2-[methyl(propan-2-yl)amino]acetic acid

2-[methyl(propan-2-yl)amino]acetic acid (PubChem CID 22015279) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]acetic acid
PubChem CID22015279
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-[methyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(2)7(3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyRMLIHPQMHVOHNZ-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(propan-2-yl)amino]acetic 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(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[methyl(propan-2-yl)amino]acetic acid (CID 22015279) is 2-[methyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]acetic acid is CC(C)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]acetic acid?
The InChIKey is RMLIHPQMHVOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)7(3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-[methyl(propan-2-yl)amino]acetic acid?
2-[methyl(propan-2-yl)amino]acetic acid has a molecular weight of 131.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 22015279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).