(Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid

C10H10FNO3 — CID 6505046

IUPAC(Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
SMILESN[C@H](C(=O)O)/C(=C\F)c1cccc(O)c1
InChIInChI=1S/C10H10FNO3/c11-5-8(9(12)10(14)15)6-2-1-3-7(13)4-6/h1-5,9,13H,12H2,(H,14,15)/b8-5-/t9-/m0/s1
InChIKeyLAUWCWCSEOWJMQ-RDOCRHDPSA-N
MW211.19 g/mol
LogP1.11
Rot. Bonds3

About (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid

(Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid (PubChem CID 6505046) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid.

Molecular Properties

Compound Name(Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
PubChem CID6505046
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
SMILESN[C@H](C(=O)O)/C(=C\F)c1cccc(O)c1
InChIInChI=1S/C10H10FNO3/c11-5-8(9(12)10(14)15)6-2-1-3-7(13)4-6/h1-5,9,13H,12H2,(H,14,15)/b8-5-/t9-/m0/s1
InChIKeyLAUWCWCSEOWJMQ-RDOCRHDPSA-N
XLogP1.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid?
The IUPAC name of (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid (CID 6505046) is (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid.
What is the SMILES notation for (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid?
The canonical SMILES for (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid is N[C@H](C(=O)O)/C(=C\F)c1cccc(O)c1.
What is the InChIKey of (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid?
The InChIKey is LAUWCWCSEOWJMQ-RDOCRHDPSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-5-8(9(12)10(14)15)6-2-1-3-7(13)4-6/h1-5,9,13H,12H2,(H,14,15)/b8-5-/t9-/m0/s1.
What are the key properties of (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid?
(Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid has a molecular weight of 211.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid is sourced from PubChem (CID 6505046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).