2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid

C11H11FN2O3 — CID 104785698

IUPAC2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid
SMILESC=CCC(NC(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C11H11FN2O3/c1-2-3-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h2,4-6,9H,1,3H2,(H,14,15)(H,16,17)
InChIKeyFINJDMWSKPQOGW-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.98
Rot. Bonds5

About 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid

2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid (PubChem CID 104785698) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid
PubChem CID104785698
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid
SMILESC=CCC(NC(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C11H11FN2O3/c1-2-3-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h2,4-6,9H,1,3H2,(H,14,15)(H,16,17)
InChIKeyFINJDMWSKPQOGW-UHFFFAOYSA-N
XLogP0.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
(2R)-2-[[5-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl]pyridine-3-carbonyl]amino]-3-sulfanylpropanoic acid
CID 102105619
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 75514374
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
CID 146127175
2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid
CID 104785595
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 120520504

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid?
The IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid (CID 104785698) is 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid?
The canonical SMILES for 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid is C=CCC(NC(=O)c1cncc(F)c1)C(=O)O.
What is the InChIKey of 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid?
The InChIKey is FINJDMWSKPQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-2-3-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h2,4-6,9H,1,3H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid?
2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid has a molecular weight of 238.22 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid is sourced from PubChem (CID 104785698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).