3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid

C15H28N2O4 — CID 65261839

IUPAC3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-9(16-11(19)13(2,3)4)10(18)17-15(7,8)14(5,6)12(20)21/h9H,1-8H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyOYBQZPQXUGPVRU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.54
Rot. Bonds5

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

3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261839) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65261839
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-9(16-11(19)13(2,3)4)10(18)17-15(7,8)14(5,6)12(20)21/h9H,1-8H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyOYBQZPQXUGPVRU-UHFFFAOYSA-N
XLogP1.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.54
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)propanoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid (CID 65261839) is 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid is CC(NC(=O)C(C)(C)C)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is OYBQZPQXUGPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-9(16-11(19)13(2,3)4)10(18)17-15(7,8)14(5,6)12(20)21/h9H,1-8H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid?
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.54, 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)propanoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).