2-(diethylamino)butanoic acid

C8H17NO2 — CID 23290221

IUPAC2-(diethylamino)butanoic acid
SMILESCCC(C(=O)O)N(CC)CC
InChIInChI=1S/C8H17NO2/c1-4-7(8(10)11)9(5-2)6-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyWXZZJKVGEJBSJP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds5

About 2-(diethylamino)butanoic acid

2-(diethylamino)butanoic acid (PubChem CID 23290221) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(diethylamino)butanoic acid.

Molecular Properties

Compound Name2-(diethylamino)butanoic acid
PubChem CID23290221
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(diethylamino)butanoic acid
SMILESCCC(C(=O)O)N(CC)CC
InChIInChI=1S/C8H17NO2/c1-4-7(8(10)11)9(5-2)6-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyWXZZJKVGEJBSJP-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)butanoic acid?
The IUPAC name of 2-(diethylamino)butanoic acid (CID 23290221) is 2-(diethylamino)butanoic acid.
What is the SMILES notation for 2-(diethylamino)butanoic acid?
The canonical SMILES for 2-(diethylamino)butanoic acid is CCC(C(=O)O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)butanoic acid?
The InChIKey is WXZZJKVGEJBSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(8(10)11)9(5-2)6-3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-(diethylamino)butanoic acid?
2-(diethylamino)butanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)butanoic acid is sourced from PubChem (CID 23290221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).