(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid

C8H10FNO3 — CID 138491021

IUPAC(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid
SMILESC=CC(=O)N1C[C@H](F)C[C@H]1C(=O)O
InChIInChI=1S/C8H10FNO3/c1-2-7(11)10-4-5(9)3-6(10)8(12)13/h2,5-6H,1,3-4H2,(H,12,13)/t5-,6+/m1/s1
InChIKeyNLQUIFIIRVMUFK-RITPCOANSA-N
MW187.17 g/mol
LogP0.20
Rot. Bonds2

About (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid

(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid (PubChem CID 138491021) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid
PubChem CID138491021
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid
SMILESC=CC(=O)N1C[C@H](F)C[C@H]1C(=O)O
InChIInChI=1S/C8H10FNO3/c1-2-7(11)10-4-5(9)3-6(10)8(12)13/h2,5-6H,1,3-4H2,(H,12,13)/t5-,6+/m1/s1
InChIKeyNLQUIFIIRVMUFK-RITPCOANSA-N
XLogP0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
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 (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid (CID 138491021) is (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid is C=CC(=O)N1C[C@H](F)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid?
The InChIKey is NLQUIFIIRVMUFK-RITPCOANSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-2-7(11)10-4-5(9)3-6(10)8(12)13/h2,5-6H,1,3-4H2,(H,12,13)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid has a molecular weight of 187.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 138491021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).