2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid

C11H11NO3 — CID 709625

IUPAC2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
InChIKeyYAADMLWHGMUGQL-VOTSOKGWSA-N
MW205.21 g/mol
LogP0.90
Rot. Bonds4

About 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid

2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid (PubChem CID 709625) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid
PubChem CID709625
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
InChIKeyYAADMLWHGMUGQL-VOTSOKGWSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.90
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 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid (CID 709625) is 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid is O=C(O)CNC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
The InChIKey is YAADMLWHGMUGQL-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid has a molecular weight of 205.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid is sourced from PubChem (CID 709625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).