(Z)-2-amino-4-phenylbut-2-enoic acid

C10H11NO2 — CID 19612391

IUPAC(Z)-2-amino-4-phenylbut-2-enoic acid
SMILESN/C(=C\Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,13)/b9-7-
InChIKeyUPISZGLHARNYFD-CLFYSBASSA-N
MW177.20 g/mol
LogP1.16
Rot. Bonds3

About (Z)-2-amino-4-phenylbut-2-enoic acid

(Z)-2-amino-4-phenylbut-2-enoic acid (PubChem CID 19612391) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (Z)-2-amino-4-phenylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-4-phenylbut-2-enoic acid
PubChem CID19612391
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(Z)-2-amino-4-phenylbut-2-enoic acid
SMILESN/C(=C\Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,13)/b9-7-
InChIKeyUPISZGLHARNYFD-CLFYSBASSA-N
XLogP1.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-phenylbut-2-enoic acid?
The IUPAC name of (Z)-2-amino-4-phenylbut-2-enoic acid (CID 19612391) is (Z)-2-amino-4-phenylbut-2-enoic acid.
What is the SMILES notation for (Z)-2-amino-4-phenylbut-2-enoic acid?
The canonical SMILES for (Z)-2-amino-4-phenylbut-2-enoic acid is N/C(=C\Cc1ccccc1)C(=O)O.
What is the InChIKey of (Z)-2-amino-4-phenylbut-2-enoic acid?
The InChIKey is UPISZGLHARNYFD-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,13)/b9-7-.
What are the key properties of (Z)-2-amino-4-phenylbut-2-enoic acid?
(Z)-2-amino-4-phenylbut-2-enoic acid has a molecular weight of 177.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-phenylbut-2-enoic acid is sourced from PubChem (CID 19612391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).