(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide

C12H14FNO5 — CID 23807579

IUPAC(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide
SMILESCO[C@H](/C=C/C(=O)NO)[C@H](O)c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FNO5/c1-19-10(4-5-11(16)14-18)12(17)7-2-3-9(15)8(13)6-7/h2-6,10,12,15,17-18H,1H3,(H,14,16)/b5-4+/t10-,12-/m1/s1
InChIKeyUYZJDCMJARAFIP-DJVCXFJCSA-N
MW271.24 g/mol
LogP0.64
Rot. Bonds5

About (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide

(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide (PubChem CID 23807579) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide.

Molecular Properties

Compound Name(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide
PubChem CID23807579
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide
SMILESCO[C@H](/C=C/C(=O)NO)[C@H](O)c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FNO5/c1-19-10(4-5-11(16)14-18)12(17)7-2-3-9(15)8(13)6-7/h2-6,10,12,15,17-18H,1H3,(H,14,16)/b5-4+/t10-,12-/m1/s1
InChIKeyUYZJDCMJARAFIP-DJVCXFJCSA-N
XLogP0.64
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide?
The IUPAC name of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide (CID 23807579) is (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide.
What is the SMILES notation for (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide?
The canonical SMILES for (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide is CO[C@H](/C=C/C(=O)NO)[C@H](O)c1ccc(O)c(F)c1.
What is the InChIKey of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide?
The InChIKey is UYZJDCMJARAFIP-DJVCXFJCSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-19-10(4-5-11(16)14-18)12(17)7-2-3-9(15)8(13)6-7/h2-6,10,12,15,17-18H,1H3,(H,14,16)/b5-4+/t10-,12-/m1/s1.
What are the key properties of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide?
(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide has a molecular weight of 271.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methoxypent-2-enamide is sourced from PubChem (CID 23807579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).