2-amino-4-(diethylamino)butanoic acid

C8H18N2O2 — CID 24689443

IUPAC2-amino-4-(diethylamino)butanoic acid
SMILESCCN(CC)CCC(N)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-3-10(4-2)6-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyTXJCSRZHJCNEBF-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.13
Rot. Bonds6

About 2-amino-4-(diethylamino)butanoic acid

2-amino-4-(diethylamino)butanoic acid (PubChem CID 24689443) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-amino-4-(diethylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(diethylamino)butanoic acid
PubChem CID24689443
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-amino-4-(diethylamino)butanoic acid
SMILESCCN(CC)CCC(N)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-3-10(4-2)6-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyTXJCSRZHJCNEBF-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(diethylamino)butanoic acid?
The IUPAC name of 2-amino-4-(diethylamino)butanoic acid (CID 24689443) is 2-amino-4-(diethylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(diethylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(diethylamino)butanoic acid is CCN(CC)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(diethylamino)butanoic acid?
The InChIKey is TXJCSRZHJCNEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-10(4-2)6-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-4-(diethylamino)butanoic acid?
2-amino-4-(diethylamino)butanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(diethylamino)butanoic acid is sourced from PubChem (CID 24689443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).