2-ethyl-2-(ethylamino)butanoic acid

C8H17NO2 — CID 43753865

IUPAC2-ethyl-2-(ethylamino)butanoic acid
SMILESCCNC(CC)(CC)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-8(5-2,7(10)11)9-6-3/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeyYNZKCQFVSNOJKX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds5

About 2-ethyl-2-(ethylamino)butanoic acid

2-ethyl-2-(ethylamino)butanoic acid (PubChem CID 43753865) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)butanoic acid
PubChem CID43753865
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-ethyl-2-(ethylamino)butanoic acid
SMILESCCNC(CC)(CC)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-8(5-2,7(10)11)9-6-3/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeyYNZKCQFVSNOJKX-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)butanoic acid (CID 43753865) is 2-ethyl-2-(ethylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)butanoic acid is CCNC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)butanoic acid?
The InChIKey is YNZKCQFVSNOJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(5-2,7(10)11)9-6-3/h9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-2-(ethylamino)butanoic acid?
2-ethyl-2-(ethylamino)butanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)butanoic acid is sourced from PubChem (CID 43753865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).