2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid

C10H11FN2O4 — CID 115496379

IUPAC2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cccc(F)n1
InChIInChI=1S/C10H11FN2O4/c11-8-3-1-2-6(12-8)9(15)13-7(4-5-14)10(16)17/h1-3,7,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyGZAJSIOZPDECOV-UHFFFAOYSA-N
MW242.21 g/mol
LogP-0.21
Rot. Bonds5

About 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid

2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 115496379) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID115496379
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cccc(F)n1
InChIInChI=1S/C10H11FN2O4/c11-8-3-1-2-6(12-8)9(15)13-7(4-5-14)10(16)17/h1-3,7,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyGZAJSIOZPDECOV-UHFFFAOYSA-N
XLogP-0.21
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004822
6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
CID 115869130
2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
CID 22457897
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
CID 115869084
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid (CID 115496379) is 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1cccc(F)n1.
What is the InChIKey of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is GZAJSIOZPDECOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c11-8-3-1-2-6(12-8)9(15)13-7(4-5-14)10(16)17/h1-3,7,14H,4-5H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 242.21 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 115496379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).