8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid

C15H27NO3 — CID 20563968

IUPAC8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid
SMILESC=C(CC(C)C)C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H27NO3/c1-12(2)11-13(3)15(19)16-10-8-6-4-5-7-9-14(17)18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRNTDGAIPIWTCOO-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.13
Rot. Bonds11

About 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid

8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid (PubChem CID 20563968) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid
PubChem CID20563968
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid
SMILESC=C(CC(C)C)C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H27NO3/c1-12(2)11-13(3)15(19)16-10-8-6-4-5-7-9-14(17)18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRNTDGAIPIWTCOO-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid?
The IUPAC name of 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid (CID 20563968) is 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid?
The canonical SMILES for 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid is C=C(CC(C)C)C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid?
The InChIKey is RNTDGAIPIWTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)11-13(3)15(19)16-10-8-6-4-5-7-9-14(17)18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid?
8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methyl-2-methylidenepentanoyl)amino]octanoic acid is sourced from PubChem (CID 20563968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).