3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid

C10H20N2O3 — CID 79256387

IUPAC3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)11-7-8(13)12(4)6-5-9(14)15/h11H,5-7H2,1-4H3,(H,14,15)
InChIKeyHWDVEFBIFRUZCL-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds5

About 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid

3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid (PubChem CID 79256387) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
PubChem CID79256387
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)11-7-8(13)12(4)6-5-9(14)15/h11H,5-7H2,1-4H3,(H,14,15)
InChIKeyHWDVEFBIFRUZCL-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid (CID 79256387) is 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)CNC(C)(C)C.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
The InChIKey is HWDVEFBIFRUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)11-7-8(13)12(4)6-5-9(14)15/h11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid?
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 79256387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).