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

C11H22N2O3 — CID 79257129

IUPAC2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)CNC(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-10(2,3)12-7-8(14)13(6)11(4,5)9(15)16/h12H,7H2,1-6H3,(H,15,16)
InChIKeyDOVHXDOUXNAYPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds4

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

2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 79257129) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID79257129
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)CNC(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-10(2,3)12-7-8(14)13(6)11(4,5)9(15)16/h12H,7H2,1-6H3,(H,15,16)
InChIKeyDOVHXDOUXNAYPT-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid (CID 79257129) is 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)CNC(C)(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is DOVHXDOUXNAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)12-7-8(14)13(6)11(4,5)9(15)16/h12H,7H2,1-6H3,(H,15,16).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 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]-2-methylpropanoic acid is sourced from PubChem (CID 79257129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).