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

C11H13FN2O4 — CID 114036636

IUPAC2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccnc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-18-5-3-8(11(16)17)14-10(15)7-2-4-13-9(12)6-7/h2,4,6,8H,3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyNTXWZCJRLVMQIK-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.44
Rot. Bonds6

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

2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 114036636) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID114036636
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccnc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-18-5-3-8(11(16)17)14-10(15)7-2-4-13-9(12)6-7/h2,4,6,8H,3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyNTXWZCJRLVMQIK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
2-[(3-acetamido-4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 120702531
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid (CID 114036636) is 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccnc(F)c1)C(=O)O.
What is the InChIKey of 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is NTXWZCJRLVMQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-18-5-3-8(11(16)17)14-10(15)7-2-4-13-9(12)6-7/h2,4,6,8H,3,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
2-[(2-fluoropyridine-4-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-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 114036636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).