2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid

C12H13NO3 — CID 56609384

IUPAC2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid
SMILESC=C(NOCC=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO3/c1-10(12(14)15)13-16-9-5-8-11-6-3-2-4-7-11/h2-8,13H,1,9H2,(H,14,15)
InChIKeyLOOKAFUFBPMBDW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.82
Rot. Bonds6

About 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid

2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid (PubChem CID 56609384) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid
PubChem CID56609384
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid
SMILESC=C(NOCC=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO3/c1-10(12(14)15)13-16-9-5-8-11-6-3-2-4-7-11/h2-8,13H,1,9H2,(H,14,15)
InChIKeyLOOKAFUFBPMBDW-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid?
The IUPAC name of 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid (CID 56609384) is 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid.
What is the SMILES notation for 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid?
The canonical SMILES for 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid is C=C(NOCC=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid?
The InChIKey is LOOKAFUFBPMBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-10(12(14)15)13-16-9-5-8-11-6-3-2-4-7-11/h2-8,13H,1,9H2,(H,14,15).
What are the key properties of 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid?
2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid is sourced from PubChem (CID 56609384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).