2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid

C18H16N2O5 — CID 7480453

IUPAC2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H16N2O5/c21-16(9-8-13-5-2-1-3-6-13)20-15(11-14-7-4-10-25-14)18(24)19-12-17(22)23/h1-11H,12H2,(H,19,24)(H,20,21)(H,22,23)/b9-8+,15-11-
InChIKeyUPTUCBJLZVOUIH-NOCYUORASA-N
MW340.34 g/mol
LogP1.65
Rot. Bonds7

About 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid

2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid (PubChem CID 7480453) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid
PubChem CID7480453
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H16N2O5/c21-16(9-8-13-5-2-1-3-6-13)20-15(11-14-7-4-10-25-14)18(24)19-12-17(22)23/h1-11H,12H2,(H,19,24)(H,20,21)(H,22,23)/b9-8+,15-11-
InChIKeyUPTUCBJLZVOUIH-NOCYUORASA-N
XLogP1.65
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid (CID 7480453) is 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid is O=C(O)CNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid?
The InChIKey is UPTUCBJLZVOUIH-NOCYUORASA-N. The full InChI is InChI=1S/C18H16N2O5/c21-16(9-8-13-5-2-1-3-6-13)20-15(11-14-7-4-10-25-14)18(24)19-12-17(22)23/h1-11H,12H2,(H,19,24)(H,20,21)(H,22,23)/b9-8+,15-11-.
What are the key properties of 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid?
2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid has a molecular weight of 340.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetic acid is sourced from PubChem (CID 7480453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).