5-(diethylamino)-2-methylpentanoic acid

C10H21NO2 — CID 54394683

IUPAC5-(diethylamino)-2-methylpentanoic acid
SMILESCCN(CC)CCCC(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyVJCLOZMWDRSHSX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds7

About 5-(diethylamino)-2-methylpentanoic acid

5-(diethylamino)-2-methylpentanoic acid (PubChem CID 54394683) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(diethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-methylpentanoic acid
PubChem CID54394683
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-(diethylamino)-2-methylpentanoic acid
SMILESCCN(CC)CCCC(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyVJCLOZMWDRSHSX-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(diethylamino)-2-methylpentanoic acid (CID 54394683) is 5-(diethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(diethylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(diethylamino)-2-methylpentanoic acid is CCN(CC)CCCC(C)C(=O)O.
What is the InChIKey of 5-(diethylamino)-2-methylpentanoic acid?
The InChIKey is VJCLOZMWDRSHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 5-(diethylamino)-2-methylpentanoic acid?
5-(diethylamino)-2-methylpentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 54394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).