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

C11H13FN2O4 — CID 104785549

IUPAC2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-18-3-2-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyPRBMDAHCDCNWGS-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.44
Rot. Bonds6

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

2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 104785549) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID104785549
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-18-3-2-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyPRBMDAHCDCNWGS-UHFFFAOYSA-N
XLogP0.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid
CID 104785698
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
2-[(3-acetamido-4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 120702531
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid (CID 104785549) is 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cncc(F)c1)C(=O)O.
What is the InChIKey of 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is PRBMDAHCDCNWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-18-3-2-9(11(16)17)14-10(15)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid?
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 256.23 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 104785549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).