2-(methylamino)-3-phenylprop-2-enoic acid

C10H11NO2 — CID 66895933

IUPAC2-(methylamino)-3-phenylprop-2-enoic acid
SMILESCNC(=Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,13)
InChIKeyRKSMAFLBEZDOIZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.33
Rot. Bonds3

About 2-(methylamino)-3-phenylprop-2-enoic acid

2-(methylamino)-3-phenylprop-2-enoic acid (PubChem CID 66895933) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(methylamino)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-phenylprop-2-enoic acid
PubChem CID66895933
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(methylamino)-3-phenylprop-2-enoic acid
SMILESCNC(=Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,13)
InChIKeyRKSMAFLBEZDOIZ-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.33
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-(methylamino)-3-phenylprop-2-enoic acid?
The IUPAC name of 2-(methylamino)-3-phenylprop-2-enoic acid (CID 66895933) is 2-(methylamino)-3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-(methylamino)-3-phenylprop-2-enoic acid?
The canonical SMILES for 2-(methylamino)-3-phenylprop-2-enoic acid is CNC(=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-phenylprop-2-enoic acid?
The InChIKey is RKSMAFLBEZDOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-3-phenylprop-2-enoic acid?
2-(methylamino)-3-phenylprop-2-enoic acid has a molecular weight of 177.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 66895933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).