ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate

C16H23FN2O5 — CID 67778422

IUPACethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC[C@H](C)NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C16H23FN2O5/c1-6-22-14(20)13-12(17)7-11(8-18-13)23-9-10(2)19-15(21)24-16(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,19,21)/t10-/m0/s1
InChIKeyZXOLYNBHBBSYKG-JTQLQIEISA-N
MW342.37 g/mol
LogP2.69
Rot. Bonds6

About ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate

ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate (PubChem CID 67778422) has the molecular formula C16H23FN2O5 and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
PubChem CID67778422
Molecular FormulaC16H23FN2O5
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Nameethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC[C@H](C)NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C16H23FN2O5/c1-6-22-14(20)13-12(17)7-11(8-18-13)23-9-10(2)19-15(21)24-16(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,19,21)/t10-/m0/s1
InChIKeyZXOLYNBHBBSYKG-JTQLQIEISA-N
XLogP2.69
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
ethyl 5-amino-3-fluoropyridine-2-carboxylate
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CID 52911130
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 175410962
ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 166869398
tert-butyl N-[(2S)-1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853259
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
CID 67124202
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
CID 123462031
tert-butyl N-[1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-yl]carbamate
CID 102794740
tert-butyl N-[1-[2,6-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)phenoxy]propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate (CID 67778422) is ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate is CCOC(=O)c1ncc(OC[C@H](C)NC(=O)OC(C)(C)C)cc1F.
What is the InChIKey of ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
The InChIKey is ZXOLYNBHBBSYKG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23FN2O5/c1-6-22-14(20)13-12(17)7-11(8-18-13)23-9-10(2)19-15(21)24-16(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,19,21)/t10-/m0/s1.
What are the key properties of ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate is sourced from PubChem (CID 67778422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).