methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate

C12H15FN2O3 — CID 113415269

IUPACmethyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1ccc(F)cn1)C(C)C
InChIInChI=1S/C12H15FN2O3/c1-7(2)10(12(17)18-3)15-11(16)9-5-4-8(13)6-14-9/h4-7,10H,1-3H3,(H,15,16)
InChIKeyOUDIPQTZEXYHMN-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.15
Rot. Bonds4

About methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate

methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate (PubChem CID 113415269) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
PubChem CID113415269
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1ccc(F)cn1)C(C)C
InChIInChI=1S/C12H15FN2O3/c1-7(2)10(12(17)18-3)15-11(16)9-5-4-8(13)6-14-9/h4-7,10H,1-3H3,(H,15,16)
InChIKeyOUDIPQTZEXYHMN-UHFFFAOYSA-N
XLogP1.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
CID 43407775
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 104638404
methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
CID 103492499
methyl 2-[(3,5-difluorobenzoyl)amino]-3-methylbutanoate
CID 43406016
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
CID 80997627
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-3-methylbutanoate
CID 43408111
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate (CID 113415269) is methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1ccc(F)cn1)C(C)C.
What is the InChIKey of methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate?
The InChIKey is OUDIPQTZEXYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7(2)10(12(17)18-3)15-11(16)9-5-4-8(13)6-14-9/h4-7,10H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate has a molecular weight of 254.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 113415269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).