4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid

C14H30N2O2 — CID 150737889

IUPAC4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid
SMILESCCN(CC)CCC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-5-15(6-2)11-9-13(14(17)18)10-12-16(7-3)8-4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyJTFCADLANIRAKS-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.15
Rot. Bonds11

About 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid

4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid (PubChem CID 150737889) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid
PubChem CID150737889
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid
SMILESCCN(CC)CCC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-5-15(6-2)11-9-13(14(17)18)10-12-16(7-3)8-4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyJTFCADLANIRAKS-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid?
The IUPAC name of 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid (CID 150737889) is 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid.
What is the SMILES notation for 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid?
The canonical SMILES for 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid is CCN(CC)CCC(CCN(CC)CC)C(=O)O.
What is the InChIKey of 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid?
The InChIKey is JTFCADLANIRAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-15(6-2)11-9-13(14(17)18)10-12-16(7-3)8-4/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid?
4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid is sourced from PubChem (CID 150737889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).