methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate

C13H17FN2O4 — CID 158544624

IUPACmethyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate
SMILESCCc1nc(C(=O)NC(C(=O)OC)C(C)O)ccc1F
InChIInChI=1S/C13H17FN2O4/c1-4-9-8(14)5-6-10(15-9)12(18)16-11(7(2)17)13(19)20-3/h5-7,11,17H,4H2,1-3H3,(H,16,18)
InChIKeyNGSQCNVTQGGSOQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.44
Rot. Bonds5

About methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate

methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate (PubChem CID 158544624) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate
PubChem CID158544624
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate
SMILESCCc1nc(C(=O)NC(C(=O)OC)C(C)O)ccc1F
InChIInChI=1S/C13H17FN2O4/c1-4-9-8(14)5-6-10(15-9)12(18)16-11(7(2)17)13(19)20-3/h5-7,11,17H,4H2,1-3H3,(H,16,18)
InChIKeyNGSQCNVTQGGSOQ-UHFFFAOYSA-N
XLogP0.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate with MolForge

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Related Compounds

(E)-2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]but-2-enoic acid
CID 157399466
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 103706697
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
methyl (2S,3S)-2-[(3,5-dichlorobenzoyl)amino]-3-hydroxybutanoate
CID 124571933
3-bromo-4-fluoro-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide;hydroxylamine;methane;methyl (2S,3R)-2-[(3-bromo-4-fluorobenzoyl)amino]-3-hydroxybutanoate;hydrochloride
CID 159968230
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
methyl (2S)-2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbutanoate
CID 113246333
methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate
CID 112703953
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate?
The IUPAC name of methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate (CID 158544624) is methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate.
What is the SMILES notation for methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate?
The canonical SMILES for methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate is CCc1nc(C(=O)NC(C(=O)OC)C(C)O)ccc1F.
What is the InChIKey of methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate?
The InChIKey is NGSQCNVTQGGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-4-9-8(14)5-6-10(15-9)12(18)16-11(7(2)17)13(19)20-3/h5-7,11,17H,4H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate?
methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate has a molecular weight of 284.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-5-fluoropyridine-2-carbonyl)amino]-3-hydroxybutanoate is sourced from PubChem (CID 158544624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).