(E)-2-amino-6-fluoro-9-iminodec-5-enoic acid

C10H17FN2O2 — CID 157053852

IUPAC(E)-2-amino-6-fluoro-9-iminodec-5-enoic acid
SMILES[H]/N=C(\C)CC/C(F)=C\CCC(N)C(=O)O
InChIInChI=1S/C10H17FN2O2/c1-7(12)5-6-8(11)3-2-4-9(13)10(14)15/h3,9,12H,2,4-6,13H2,1H3,(H,14,15)/b8-3+,12-7+
InChIKeySKYSMPHDUMZVHZ-KFXZBRJJSA-N
MW216.26 g/mol
LogP1.85
Rot. Bonds7

About (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid

(E)-2-amino-6-fluoro-9-iminodec-5-enoic acid (PubChem CID 157053852) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-6-fluoro-9-iminodec-5-enoic acid
PubChem CID157053852
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name(E)-2-amino-6-fluoro-9-iminodec-5-enoic acid
SMILES[H]/N=C(\C)CC/C(F)=C\CCC(N)C(=O)O
InChIInChI=1S/C10H17FN2O2/c1-7(12)5-6-8(11)3-2-4-9(13)10(14)15/h3,9,12H,2,4-6,13H2,1H3,(H,14,15)/b8-3+,12-7+
InChIKeySKYSMPHDUMZVHZ-KFXZBRJJSA-N
XLogP1.85
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid?
The IUPAC name of (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid (CID 157053852) is (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid.
What is the SMILES notation for (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid?
The canonical SMILES for (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid is [H]/N=C(\C)CC/C(F)=C\CCC(N)C(=O)O.
What is the InChIKey of (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid?
The InChIKey is SKYSMPHDUMZVHZ-KFXZBRJJSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-7(12)5-6-8(11)3-2-4-9(13)10(14)15/h3,9,12H,2,4-6,13H2,1H3,(H,14,15)/b8-3+,12-7+.
What are the key properties of (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid?
(E)-2-amino-6-fluoro-9-iminodec-5-enoic acid has a molecular weight of 216.26 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-6-fluoro-9-iminodec-5-enoic acid is sourced from PubChem (CID 157053852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).