8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid

C14H28N2O3 — CID 156569276

IUPAC8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
SMILESCNCCCC(=O)N(C)CCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-15-11-8-9-13(17)16(2)12-7-5-3-4-6-10-14(18)19/h15H,3-12H2,1-2H3,(H,18,19)
InChIKeyWRFQIDODCIFVMT-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.87
Rot. Bonds12

About 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid

8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid (PubChem CID 156569276) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid.

Molecular Properties

Compound Name8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
PubChem CID156569276
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
SMILESCNCCCC(=O)N(C)CCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-15-11-8-9-13(17)16(2)12-7-5-3-4-6-10-14(18)19/h15H,3-12H2,1-2H3,(H,18,19)
InChIKeyWRFQIDODCIFVMT-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
6-(methylamino)hexanoic acid
CID 4989372
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
N-methyl-N-[2-(methylamino)ethyl]decanamide
CID 65449488
5-(methylamino)pentanoic acid
CID 91583432
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430

Frequently Asked Questions

What is the IUPAC name of 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid?
The IUPAC name of 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid (CID 156569276) is 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid.
What is the SMILES notation for 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid?
The canonical SMILES for 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid is CNCCCC(=O)N(C)CCCCCCCC(=O)O.
What is the InChIKey of 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid?
The InChIKey is WRFQIDODCIFVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-15-11-8-9-13(17)16(2)12-7-5-3-4-6-10-14(18)19/h15H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid?
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.87, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid is sourced from PubChem (CID 156569276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).