4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid

C24H47NO3 — CID 10644524

IUPAC4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCNC(=O)CCC(=O)O
InChIInChI=1S/C24H47NO3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)17-18-25-23(26)15-16-24(27)28/h19-22H,6-18H2,1-5H3,(H,25,26)(H,27,28)
InChIKeyVFEBOZKMGNFYTC-UHFFFAOYSA-N
MW397.64 g/mol
LogP6.43
Rot. Bonds18

About 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid

4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid (PubChem CID 10644524) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid
PubChem CID10644524
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCNC(=O)CCC(=O)O
InChIInChI=1S/C24H47NO3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)17-18-25-23(26)15-16-24(27)28/h19-22H,6-18H2,1-5H3,(H,25,26)(H,27,28)
InChIKeyVFEBOZKMGNFYTC-UHFFFAOYSA-N
XLogP6.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid (CID 10644524) is 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid is CC(C)CCCC(C)CCCC(C)CCCC(C)CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid?
The InChIKey is VFEBOZKMGNFYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)17-18-25-23(26)15-16-24(27)28/h19-22H,6-18H2,1-5H3,(H,25,26)(H,27,28).
What are the key properties of 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid?
4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid has a molecular weight of 397.64 g/mol, XLogP of 6.43, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3,7,11,15-tetramethylhexadecylamino)butanoic acid is sourced from PubChem (CID 10644524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).