methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate

C14H19FN2O2 — CID 124863514

IUPACmethyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)[C@H](F)CN1CCC[C@H]1c1cccc(C)n1
InChIInChI=1S/C14H19FN2O2/c1-10-5-3-6-12(16-10)13-7-4-8-17(13)9-11(15)14(18)19-2/h3,5-6,11,13H,4,7-9H2,1-2H3/t11-,13+/m1/s1
InChIKeySMOSNKBQMSARFC-YPMHNXCESA-N
MW266.32 g/mol
LogP2.04
Rot. Bonds4

About methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate

methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate (PubChem CID 124863514) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
PubChem CID124863514
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Namemethyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)[C@H](F)CN1CCC[C@H]1c1cccc(C)n1
InChIInChI=1S/C14H19FN2O2/c1-10-5-3-6-12(16-10)13-7-4-8-17(13)9-11(15)14(18)19-2/h3,5-6,11,13H,4,7-9H2,1-2H3/t11-,13+/m1/s1
InChIKeySMOSNKBQMSARFC-YPMHNXCESA-N
XLogP2.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 99831648
3-(1-methylpyrazol-3-yl)-1-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 164632753
N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 102560985
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 139004178
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate (CID 124863514) is methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate is COC(=O)[C@H](F)CN1CCC[C@H]1c1cccc(C)n1.
What is the InChIKey of methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate?
The InChIKey is SMOSNKBQMSARFC-YPMHNXCESA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-5-3-6-12(16-10)13-7-4-8-17(13)9-11(15)14(18)19-2/h3,5-6,11,13H,4,7-9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate?
methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate has a molecular weight of 266.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 124863514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).