ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate

C11H13FN2O3 — CID 115694602

IUPACethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cncc(F)c1
InChIInChI=1S/C11H13FN2O3/c1-3-17-11(16)7(2)14-10(15)8-4-9(12)6-13-5-8/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVIZZMXNWBMPBCQ-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate

ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate (PubChem CID 115694602) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
PubChem CID115694602
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cncc(F)c1
InChIInChI=1S/C11H13FN2O3/c1-3-17-11(16)7(2)14-10(15)8-4-9(12)6-13-5-8/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVIZZMXNWBMPBCQ-UHFFFAOYSA-N
XLogP0.90
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]propanoate
CID 63186715
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
propyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836849
propyl 2-[(3-fluorobenzoyl)amino]propanoate
CID 6422568
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
CID 115694518
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
CID 63860111
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate
CID 97084431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate (CID 115694602) is ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cncc(F)c1.
What is the InChIKey of ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
The InChIKey is VIZZMXNWBMPBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-17-11(16)7(2)14-10(15)8-4-9(12)6-13-5-8/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate has a molecular weight of 240.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 115694602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).