3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid

C13H26N2O3 — CID 65265611

IUPAC3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
SMILESCCNC(C)CC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-7-14-9(2)8-10(16)15-13(5,6)12(3,4)11(17)18/h9,14H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyHCUXFDWPHWHPGG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.38
Rot. Bonds7

About 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid

3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265611) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65265611
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
SMILESCCNC(C)CC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-7-14-9(2)8-10(16)15-13(5,6)12(3,4)11(17)18/h9,14H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyHCUXFDWPHWHPGG-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid (CID 65265611) is 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid is CCNC(C)CC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is HCUXFDWPHWHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-14-9(2)8-10(16)15-13(5,6)12(3,4)11(17)18/h9,14H,7-8H2,1-6H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid?
3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).