2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid

C11H19NO3 — CID 91274982

IUPAC2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid
SMILESC=CC(=O)N(C)CCCCC(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-10(13)12(3)8-6-5-7-9(2)11(14)15/h4,9H,1,5-8H2,2-3H3,(H,14,15)
InChIKeyXWRKPOLIRPCKIB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds7

About 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid

2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid (PubChem CID 91274982) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid
PubChem CID91274982
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid
SMILESC=CC(=O)N(C)CCCCC(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-10(13)12(3)8-6-5-7-9(2)11(14)15/h4,9H,1,5-8H2,2-3H3,(H,14,15)
InChIKeyXWRKPOLIRPCKIB-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-[methyl(prop-2-enoyl)amino]hexanoic acid?
The IUPAC name of 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid (CID 91274982) is 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid.
What is the SMILES notation for 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid?
The canonical SMILES for 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid is C=CC(=O)N(C)CCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid?
The InChIKey is XWRKPOLIRPCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-10(13)12(3)8-6-5-7-9(2)11(14)15/h4,9H,1,5-8H2,2-3H3,(H,14,15).
What are the key properties of 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid?
2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid is sourced from PubChem (CID 91274982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).