methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate

C15H22FN3O6 — CID 70375573

IUPACmethyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate
SMILESCOC(=O)C(N)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@](C)(F)[C@]1(C)O
InChIInChI=1S/C15H22FN3O6/c1-7-6-19(13(22)18-10(7)20)12-14(2,16)15(3,23)9(25-12)5-8(17)11(21)24-4/h6,8-9,12,23H,5,17H2,1-4H3,(H,18,20,22)/t8?,9-,12-,14+,15-/m1/s1
InChIKeyWBLALJDLJACUHY-CAIJBYDVSA-N
MW359.35 g/mol
LogP-0.89
Rot. Bonds4

About methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate

methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate (PubChem CID 70375573) has the molecular formula C15H22FN3O6 and a molecular weight of 359.35 g/mol. Its IUPAC name is methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate
PubChem CID70375573
Molecular FormulaC15H22FN3O6
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Namemethyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate
SMILESCOC(=O)C(N)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@](C)(F)[C@]1(C)O
InChIInChI=1S/C15H22FN3O6/c1-7-6-19(13(22)18-10(7)20)12-14(2,16)15(3,23)9(25-12)5-8(17)11(21)24-4/h6,8-9,12,23H,5,17H2,1-4H3,(H,18,20,22)/t8?,9-,12-,14+,15-/m1/s1
InChIKeyWBLALJDLJACUHY-CAIJBYDVSA-N
XLogP-0.89
TPSA136.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate (CID 70375573) is methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate is COC(=O)C(N)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@](C)(F)[C@]1(C)O.
What is the InChIKey of methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate?
The InChIKey is WBLALJDLJACUHY-CAIJBYDVSA-N. The full InChI is InChI=1S/C15H22FN3O6/c1-7-6-19(13(22)18-10(7)20)12-14(2,16)15(3,23)9(25-12)5-8(17)11(21)24-4/h6,8-9,12,23H,5,17H2,1-4H3,(H,18,20,22)/t8?,9-,12-,14+,15-/m1/s1.
What are the key properties of methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate?
methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate has a molecular weight of 359.35 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate is sourced from PubChem (CID 70375573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).