(E)-2-amino-2-methyl-4-phenylbut-3-enoic acid

C11H13NO2 — CID 5458756

IUPAC(E)-2-amino-2-methyl-4-phenylbut-3-enoic acid
SMILESCC(N)(/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO2/c1-11(12,10(13)14)8-7-9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/b8-7+
InChIKeyCUDFQKSZEIHDPO-BQYQJAHWSA-N
MW191.23 g/mol
LogP1.50
Rot. Bonds3

About (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid

(E)-2-amino-2-methyl-4-phenylbut-3-enoic acid (PubChem CID 5458756) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-2-methyl-4-phenylbut-3-enoic acid
PubChem CID5458756
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-2-amino-2-methyl-4-phenylbut-3-enoic acid
SMILESCC(N)(/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO2/c1-11(12,10(13)14)8-7-9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/b8-7+
InChIKeyCUDFQKSZEIHDPO-BQYQJAHWSA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid?
The IUPAC name of (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid (CID 5458756) is (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid.
What is the SMILES notation for (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid?
The canonical SMILES for (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid is CC(N)(/C=C/c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid?
The InChIKey is CUDFQKSZEIHDPO-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(12,10(13)14)8-7-9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/b8-7+.
What are the key properties of (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid?
(E)-2-amino-2-methyl-4-phenylbut-3-enoic acid has a molecular weight of 191.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-2-methyl-4-phenylbut-3-enoic acid is sourced from PubChem (CID 5458756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).