4-(ethylamino)-2,2-dimethylbutanoic acid

C8H17NO2 — CID 54320919

IUPAC4-(ethylamino)-2,2-dimethylbutanoic acid
SMILESCCNCCC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9-6-5-8(2,3)7(10)11/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeySRPGLDXEZBBAGI-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds5

About 4-(ethylamino)-2,2-dimethylbutanoic acid

4-(ethylamino)-2,2-dimethylbutanoic acid (PubChem CID 54320919) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(ethylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-2,2-dimethylbutanoic acid
PubChem CID54320919
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(ethylamino)-2,2-dimethylbutanoic acid
SMILESCCNCCC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9-6-5-8(2,3)7(10)11/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeySRPGLDXEZBBAGI-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(ethylamino)-2,2-dimethylbutanoic acid (CID 54320919) is 4-(ethylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(ethylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(ethylamino)-2,2-dimethylbutanoic acid is CCNCCC(C)(C)C(=O)O.
What is the InChIKey of 4-(ethylamino)-2,2-dimethylbutanoic acid?
The InChIKey is SRPGLDXEZBBAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-9-6-5-8(2,3)7(10)11/h9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-(ethylamino)-2,2-dimethylbutanoic acid?
4-(ethylamino)-2,2-dimethylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 54320919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).