methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate

C17H22FN3O5 — CID 126623341

IUPACmethyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H22FN3O5/c1-17(2,3)26-16(24)21-9-10(18)8-12(21)14(22)20-13-7-5-6-11(19-13)15(23)25-4/h5-7,10,12H,8-9H2,1-4H3,(H,19,20,22)/t10-,12+/m1/s1
InChIKeyRWZFAWAFFUUZHP-PWSUYJOCSA-N
MW367.38 g/mol
LogP2.15
Rot. Bonds3

About methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate

methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 126623341) has the molecular formula C17H22FN3O5 and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate
PubChem CID126623341
Molecular FormulaC17H22FN3O5
Molecular Weight367.38 g/mol
Exact Mass367.15
IUPAC Namemethyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H22FN3O5/c1-17(2,3)26-16(24)21-9-10(18)8-12(21)14(22)20-13-7-5-6-11(19-13)15(23)25-4/h5-7,10,12H,8-9H2,1-4H3,(H,19,20,22)/t10-,12+/m1/s1
InChIKeyRWZFAWAFFUUZHP-PWSUYJOCSA-N
XLogP2.15
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate (CID 126623341) is methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is RWZFAWAFFUUZHP-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H22FN3O5/c1-17(2,3)26-16(24)21-9-10(18)8-12(21)14(22)20-13-7-5-6-11(19-13)15(23)25-4/h5-7,10,12H,8-9H2,1-4H3,(H,19,20,22)/t10-,12+/m1/s1.
What are the key properties of methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 126623341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).