(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid

C12H12FNO3 — CID 78972924

IUPAC(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
SMILESC[C@@H](NC(=O)C=Cc1ccccc1F)C(=O)O
InChIInChI=1S/C12H12FNO3/c1-8(12(16)17)14-11(15)7-6-9-4-2-3-5-10(9)13/h2-8H,1H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyGJFJVDHIJIWISP-MRVPVSSYSA-N
MW237.23 g/mol
LogP1.43
Rot. Bonds4

About (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid

(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid (PubChem CID 78972924) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
PubChem CID78972924
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
SMILESC[C@@H](NC(=O)C=Cc1ccccc1F)C(=O)O
InChIInChI=1S/C12H12FNO3/c1-8(12(16)17)14-11(15)7-6-9-4-2-3-5-10(9)13/h2-8H,1H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyGJFJVDHIJIWISP-MRVPVSSYSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.43
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 (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid (CID 78972924) is (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid is C[C@@H](NC(=O)C=Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid?
The InChIKey is GJFJVDHIJIWISP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-8(12(16)17)14-11(15)7-6-9-4-2-3-5-10(9)13/h2-8H,1H3,(H,14,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid?
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid has a molecular weight of 237.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid is sourced from PubChem (CID 78972924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).