2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid

C11H19NO3 — CID 87769965

IUPAC2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)NCCCCC(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)10(13)12-7-5-4-6-9(3)11(14)15/h9H,1,4-7H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyLVVIYQKHPXUYID-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.57
Rot. Bonds7

About 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid

2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid (PubChem CID 87769965) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound Name2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid
PubChem CID87769965
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)NCCCCC(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)10(13)12-7-5-4-6-9(3)11(14)15/h9H,1,4-7H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyLVVIYQKHPXUYID-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.57
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 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid?
The IUPAC name of 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid (CID 87769965) is 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid.
What is the SMILES notation for 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid?
The canonical SMILES for 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid is C=C(C)C(=O)NCCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid?
The InChIKey is LVVIYQKHPXUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)10(13)12-7-5-4-6-9(3)11(14)15/h9H,1,4-7H2,2-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid?
2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylprop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 87769965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).