11-(2-methylprop-2-enoylamino)undecanoic acid

C15H27NO3 — CID 2764185

IUPAC11-(2-methylprop-2-enoylamino)undecanoic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H27NO3/c1-13(2)15(19)16-12-10-8-6-4-3-5-7-9-11-14(17)18/h1,3-12H2,2H3,(H,16,19)(H,17,18)
InChIKeyYWRMFVZWFSDHFF-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.27
Rot. Bonds12

About 11-(2-methylprop-2-enoylamino)undecanoic acid

11-(2-methylprop-2-enoylamino)undecanoic acid (PubChem CID 2764185) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 11-(2-methylprop-2-enoylamino)undecanoic acid.

Molecular Properties

Compound Name11-(2-methylprop-2-enoylamino)undecanoic acid
PubChem CID2764185
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name11-(2-methylprop-2-enoylamino)undecanoic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H27NO3/c1-13(2)15(19)16-12-10-8-6-4-3-5-7-9-11-14(17)18/h1,3-12H2,2H3,(H,16,19)(H,17,18)
InChIKeyYWRMFVZWFSDHFF-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.27
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 11-(2-methylprop-2-enoylamino)undecanoic acid?
The IUPAC name of 11-(2-methylprop-2-enoylamino)undecanoic acid (CID 2764185) is 11-(2-methylprop-2-enoylamino)undecanoic acid.
What is the SMILES notation for 11-(2-methylprop-2-enoylamino)undecanoic acid?
The canonical SMILES for 11-(2-methylprop-2-enoylamino)undecanoic acid is C=C(C)C(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(2-methylprop-2-enoylamino)undecanoic acid?
The InChIKey is YWRMFVZWFSDHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(2)15(19)16-12-10-8-6-4-3-5-7-9-11-14(17)18/h1,3-12H2,2H3,(H,16,19)(H,17,18).
What are the key properties of 11-(2-methylprop-2-enoylamino)undecanoic acid?
11-(2-methylprop-2-enoylamino)undecanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.27, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylprop-2-enoylamino)undecanoic acid is sourced from PubChem (CID 2764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).