2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid

C11H11FN2O3 — CID 104638328

IUPAC2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2O3/c1-2-5-14(7-10(15)16)11(17)9-4-3-8(12)6-13-9/h2-4,6H,1,5,7H2,(H,15,16)
InChIKeyWJRKJRUZJQEIFQ-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.93
Rot. Bonds5

About 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid

2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 104638328) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID104638328
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2O3/c1-2-5-14(7-10(15)16)11(17)9-4-3-8(12)6-13-9/h2-4,6H,1,5,7H2,(H,15,16)
InChIKeyWJRKJRUZJQEIFQ-UHFFFAOYSA-N
XLogP0.93
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
2-[tert-butyl-(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 113435829
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid
CID 79265584
1-(5-fluoro-2-pyridinyl)but-3-en-1-one
CID 70650260
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276361
2-[(1-phenyltriazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79263792
2-[prop-2-enyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 79264072
2-[(2-chloro-3-fluorobenzoyl)-prop-2-enylamino]acetic acid
CID 81454566

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid (CID 104638328) is 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1ccc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is WJRKJRUZJQEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-2-5-14(7-10(15)16)11(17)9-4-3-8(12)6-13-9/h2-4,6H,1,5,7H2,(H,15,16).
What are the key properties of 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid?
2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 238.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 104638328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).