fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate

C19H35FN2O5 — CID 169183615

IUPACfluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate
SMILESCCC(C)C(NC)C(CC(=O)N1CCCC1C(OC)C(C)C(=O)OF)OC
InChIInChI=1S/C19H35FN2O5/c1-7-12(2)17(21-4)15(25-5)11-16(23)22-10-8-9-14(22)18(26-6)13(3)19(24)27-20/h12-15,17-18,21H,7-11H2,1-6H3
InChIKeyBPSOGAOCHLIDHE-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.10
Rot. Bonds11

About fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate

fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate (PubChem CID 169183615) has the molecular formula C19H35FN2O5 and a molecular weight of 390.50 g/mol. Its IUPAC name is fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namefluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate
PubChem CID169183615
Molecular FormulaC19H35FN2O5
Molecular Weight390.50 g/mol
Exact Mass390.25
IUPAC Namefluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate
SMILESCCC(C)C(NC)C(CC(=O)N1CCCC1C(OC)C(C)C(=O)OF)OC
InChIInChI=1S/C19H35FN2O5/c1-7-12(2)17(21-4)15(25-5)11-16(23)22-10-8-9-14(22)18(26-6)13(3)19(24)27-20/h12-15,17-18,21H,7-11H2,1-6H3
InChIKeyBPSOGAOCHLIDHE-UHFFFAOYSA-N
XLogP2.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 10579445
Desaetophenineaetokthonostatin
CID 168010308
Fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate
CID 153342961
Tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 171797234
methyl (2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-1-methylpiperidine-2-carbonyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 175967743
N-[2-[[1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-propan-2-ylpentanamide
CID 145135127
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
CID 145135171
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
3-[1-[4-[[2-[[2-(Dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 53942335
(2R)-3-[1-[(4S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 53942336
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(4S)-3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 54072508
methyl (2R,3R,5S)-2-[(1S)-1-acetamido-3-methylbutyl]-5-methyloxolane-3-carboxylate
CID 59039392

Frequently Asked Questions

What is the IUPAC name of fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate?
The IUPAC name of fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate (CID 169183615) is fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate.
What is the SMILES notation for fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate?
The canonical SMILES for fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate is CCC(C)C(NC)C(CC(=O)N1CCCC1C(OC)C(C)C(=O)OF)OC.
What is the InChIKey of fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate?
The InChIKey is BPSOGAOCHLIDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN2O5/c1-7-12(2)17(21-4)15(25-5)11-16(23)22-10-8-9-14(22)18(26-6)13(3)19(24)27-20/h12-15,17-18,21H,7-11H2,1-6H3.
What are the key properties of fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate?
fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate has a molecular weight of 390.50 g/mol, XLogP of 2.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 169183615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).