(Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid

C10H10FNO2 — CID 69002208

IUPAC(Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid
SMILESN/C(=C\C(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,6H,5,12H2,(H,13,14)/b9-6-
InChIKeyZPYIBNAXZKOAGD-TWGQIWQCSA-N
MW195.19 g/mol
LogP1.30
Rot. Bonds3

About (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid

(Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid (PubChem CID 69002208) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid
PubChem CID69002208
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid
SMILESN/C(=C\C(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,6H,5,12H2,(H,13,14)/b9-6-
InChIKeyZPYIBNAXZKOAGD-TWGQIWQCSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Phenyldehydroalanine
CID 5702627
2-Amino-3-phenyl-2-propenoic Acid
CID 193432
(Z)-methyl 3-amino-3-(4-fluorophenyl)acrylate
CID 22004895
ethyl (Z)-3-amino-4,4-difluoro-4-phenylbut-2-enoate
CID 11447839
ethyl (Z)-3-amino-4-(3-fluorophenyl)but-2-enoate
CID 44157634
Styryldehydroalanine
CID 6443639
beta-Aminocinnamic acid
CID 60104396
Aethyl-Amidozimmtsaure
CID 69845269
p-Benzylidene amino benzoic acid
CID 70499623
(Z)-3-amino-4-(2,4-difluorophenyl)but-2-enoic acid
CID 18441895
(Z)-3-amino-4-(4-fluorophenyl)but-2-enoic acid
CID 18441913
(Z)-3-amino-5-(4-fluorophenyl)pent-2-enoic acid
CID 18441917

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid?
The IUPAC name of (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid (CID 69002208) is (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid?
The canonical SMILES for (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid is N/C(=C\C(=O)O)Cc1cccc(F)c1.
What is the InChIKey of (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid?
The InChIKey is ZPYIBNAXZKOAGD-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,6H,5,12H2,(H,13,14)/b9-6-.
What are the key properties of (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid?
(Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-(3-fluorophenyl)but-2-enoic acid is sourced from PubChem (CID 69002208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).