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

C14H15NO4 — CID 57015187

IUPAC2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid
SMILESCCC(=O)N(CC(=O)O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C14H15NO4/c1-2-12(16)15(10-14(18)19)13(17)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyLFTXAVMCLIXTIS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.55
Rot. Bonds5

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

2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid (PubChem CID 57015187) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid
PubChem CID57015187
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid
SMILESCCC(=O)N(CC(=O)O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C14H15NO4/c1-2-12(16)15(10-14(18)19)13(17)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyLFTXAVMCLIXTIS-UHFFFAOYSA-N
XLogP1.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-phenylprop-2-enoyl(propanoyl)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-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid?
The IUPAC name of 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid (CID 57015187) is 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid.
What is the SMILES notation for 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid?
The canonical SMILES for 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid is CCC(=O)N(CC(=O)O)C(=O)C=Cc1ccccc1.
What is the InChIKey of 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid?
The InChIKey is LFTXAVMCLIXTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-12(16)15(10-14(18)19)13(17)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid?
2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenylprop-2-enoyl(propanoyl)amino]acetic acid is sourced from PubChem (CID 57015187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).