methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate

C10H11FN2O3 — CID 115694530

IUPACmethyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cncc(F)c1
InChIInChI=1S/C10H11FN2O3/c1-16-9(14)2-3-13-10(15)7-4-8(11)6-12-5-7/h4-6H,2-3H2,1H3,(H,13,15)
InChIKeyMPXOWFSPVPGJAF-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.51
Rot. Bonds4

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

methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate (PubChem CID 115694530) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
PubChem CID115694530
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cncc(F)c1
InChIInChI=1S/C10H11FN2O3/c1-16-9(14)2-3-13-10(15)7-4-8(11)6-12-5-7/h4-6H,2-3H2,1H3,(H,13,15)
InChIKeyMPXOWFSPVPGJAF-UHFFFAOYSA-N
XLogP0.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate
CID 110488353
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
CID 115694518
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
methyl 3-[[3-[[3,5-bis[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoyl]amino]propanoate
CID 15840385
methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate
CID 63899877
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
CID 122293470
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113256537
methyl (3S)-3-(2,4-difluorophenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 99630876
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate (CID 115694530) is methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cncc(F)c1.
What is the InChIKey of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
The InChIKey is MPXOWFSPVPGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-16-9(14)2-3-13-10(15)7-4-8(11)6-12-5-7/h4-6H,2-3H2,1H3,(H,13,15).
What are the key properties of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate?
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate has a molecular weight of 226.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 115694530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).