3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid

C14H26N2O4 — CID 65261210

IUPAC3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-12(2,3)10(18)15-8-9(17)16-14(6,7)13(4,5)11(19)20/h8H2,1-7H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyLZTXOUFPXINURC-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.15
Rot. Bonds5

About 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261210) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261210
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-12(2,3)10(18)15-8-9(17)16-14(6,7)13(4,5)11(19)20/h8H2,1-7H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyLZTXOUFPXINURC-UHFFFAOYSA-N
XLogP1.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid (CID 65261210) is 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid is CC(C)(C)C(=O)NCC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is LZTXOUFPXINURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-12(2,3)10(18)15-8-9(17)16-14(6,7)13(4,5)11(19)20/h8H2,1-7H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).