methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate

C12H17FN2O2 — CID 112586720

IUPACmethyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
SMILESCCC(CC(=O)OC)(NC)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2O2/c1-4-12(14-2,7-11(16)17-3)10-6-5-9(13)8-15-10/h5-6,8,14H,4,7H2,1-3H3
InChIKeyLLYGQINLTSTYIB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.61
Rot. Bonds5

About methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate

methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate (PubChem CID 112586720) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
PubChem CID112586720
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Namemethyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
SMILESCCC(CC(=O)OC)(NC)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2O2/c1-4-12(14-2,7-11(16)17-3)10-6-5-9(13)8-15-10/h5-6,8,14H,4,7H2,1-3H3
InChIKeyLLYGQINLTSTYIB-UHFFFAOYSA-N
XLogP1.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate 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 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate
CID 112586775
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940892
2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940894
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
2-(5-fluoro-2-pyridinyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 112583365
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate?
The IUPAC name of methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate (CID 112586720) is methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate.
What is the SMILES notation for methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate?
The canonical SMILES for methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate is CCC(CC(=O)OC)(NC)c1ccc(F)cn1.
What is the InChIKey of methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate?
The InChIKey is LLYGQINLTSTYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-4-12(14-2,7-11(16)17-3)10-6-5-9(13)8-15-10/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate?
methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate has a molecular weight of 240.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate is sourced from PubChem (CID 112586720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).