4-[dimethylamino(hexanoyl)amino]butanoic acid

C12H24N2O3 — CID 3024669

IUPAC4-[dimethylamino(hexanoyl)amino]butanoic acid
SMILESCCCCCC(=O)N(CCCC(=O)O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-4-5-6-8-11(15)14(13(2)3)10-7-9-12(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyDKVNQIPPNXFQHM-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.74
Rot. Bonds9

About 4-[dimethylamino(hexanoyl)amino]butanoic acid

4-[dimethylamino(hexanoyl)amino]butanoic acid (PubChem CID 3024669) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[dimethylamino(hexanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[dimethylamino(hexanoyl)amino]butanoic acid
PubChem CID3024669
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[dimethylamino(hexanoyl)amino]butanoic acid
SMILESCCCCCC(=O)N(CCCC(=O)O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-4-5-6-8-11(15)14(13(2)3)10-7-9-12(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyDKVNQIPPNXFQHM-UHFFFAOYSA-N
XLogP1.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino(hexanoyl)amino]butanoic acid?
The IUPAC name of 4-[dimethylamino(hexanoyl)amino]butanoic acid (CID 3024669) is 4-[dimethylamino(hexanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[dimethylamino(hexanoyl)amino]butanoic acid?
The canonical SMILES for 4-[dimethylamino(hexanoyl)amino]butanoic acid is CCCCCC(=O)N(CCCC(=O)O)N(C)C.
What is the InChIKey of 4-[dimethylamino(hexanoyl)amino]butanoic acid?
The InChIKey is DKVNQIPPNXFQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-6-8-11(15)14(13(2)3)10-7-9-12(16)17/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[dimethylamino(hexanoyl)amino]butanoic acid?
4-[dimethylamino(hexanoyl)amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino(hexanoyl)amino]butanoic acid is sourced from PubChem (CID 3024669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).