5-(diethylamino)-2-ethylpentanoic acid

C11H23NO2 — CID 54571832

IUPAC5-(diethylamino)-2-ethylpentanoic acid
SMILESCCC(CCCN(CC)CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-10(11(13)14)8-7-9-12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyZXVQLCSRYNYJES-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds8

About 5-(diethylamino)-2-ethylpentanoic acid

5-(diethylamino)-2-ethylpentanoic acid (PubChem CID 54571832) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-(diethylamino)-2-ethylpentanoic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-ethylpentanoic acid
PubChem CID54571832
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-(diethylamino)-2-ethylpentanoic acid
SMILESCCC(CCCN(CC)CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-10(11(13)14)8-7-9-12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyZXVQLCSRYNYJES-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-ethylpentanoic acid?
The IUPAC name of 5-(diethylamino)-2-ethylpentanoic acid (CID 54571832) is 5-(diethylamino)-2-ethylpentanoic acid.
What is the SMILES notation for 5-(diethylamino)-2-ethylpentanoic acid?
The canonical SMILES for 5-(diethylamino)-2-ethylpentanoic acid is CCC(CCCN(CC)CC)C(=O)O.
What is the InChIKey of 5-(diethylamino)-2-ethylpentanoic acid?
The InChIKey is ZXVQLCSRYNYJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-10(11(13)14)8-7-9-12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 5-(diethylamino)-2-ethylpentanoic acid?
5-(diethylamino)-2-ethylpentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-ethylpentanoic acid is sourced from PubChem (CID 54571832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).