2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid

C10H20N2O3 — CID 79256717

IUPAC2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CNC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(9(14)15)12(5)8(13)6-11-10(2,3)4/h7,11H,6H2,1-5H3,(H,14,15)
InChIKeyWTIUFYTXRZCZLP-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds4

About 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid

2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid (PubChem CID 79256717) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
PubChem CID79256717
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CNC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(9(14)15)12(5)8(13)6-11-10(2,3)4/h7,11H,6H2,1-5H3,(H,14,15)
InChIKeyWTIUFYTXRZCZLP-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(tert-butylamino)acetyl]-methylamino]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

Related Compounds

3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
CID 170154459
2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
CID 79257129
2-[[2-(cyclopentylamino)acetyl]-methylamino]propanoic acid
CID 62637271
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79257299
2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid
CID 62625837
(2S)-2-[methyl(4-sulfanylpentanoyl)amino]propanoic acid
CID 145294959
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
2-[[2-[(4-bromobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 62627271
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
(2S)-2-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid (CID 79256717) is 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
The InChIKey is WTIUFYTXRZCZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(9(14)15)12(5)8(13)6-11-10(2,3)4/h7,11H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 79256717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).