(E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid

C11H20FNO3 — CID 59739697

IUPAC(E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid
SMILESNC(C(=O)O)C(O)CC/C=C/CCCCF
InChIInChI=1S/C11H20FNO3/c12-8-6-4-2-1-3-5-7-9(14)10(13)11(15)16/h1,3,9-10,14H,2,4-8,13H2,(H,15,16)/b3-1+
InChIKeyGXMIAENFAARJBS-HNQUOIGGSA-N
MW233.28 g/mol
LogP1.24
Rot. Bonds9

About (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid

(E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid (PubChem CID 59739697) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid
PubChem CID59739697
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid
SMILESNC(C(=O)O)C(O)CC/C=C/CCCCF
InChIInChI=1S/C11H20FNO3/c12-8-6-4-2-1-3-5-7-9(14)10(13)11(15)16/h1,3,9-10,14H,2,4-8,13H2,(H,15,16)/b3-1+
InChIKeyGXMIAENFAARJBS-HNQUOIGGSA-N
XLogP1.24
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid?
The IUPAC name of (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid (CID 59739697) is (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid.
What is the SMILES notation for (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid?
The canonical SMILES for (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid is NC(C(=O)O)C(O)CC/C=C/CCCCF.
What is the InChIKey of (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid?
The InChIKey is GXMIAENFAARJBS-HNQUOIGGSA-N. The full InChI is InChI=1S/C11H20FNO3/c12-8-6-4-2-1-3-5-7-9(14)10(13)11(15)16/h1,3,9-10,14H,2,4-8,13H2,(H,15,16)/b3-1+.
What are the key properties of (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid?
(E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid has a molecular weight of 233.28 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-11-fluoro-3-hydroxyundec-6-enoic acid is sourced from PubChem (CID 59739697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).