ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate

C24H33FN4O5 — CID 66897695

IUPACethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C24H33FN4O5/c1-6-33-22(30)16(20-17(25)12-26-18-7-8-19(32-5)28-21(18)20)14-29-10-9-15(13-29)11-27-23(31)34-24(2,3)4/h7-8,12,15-16H,6,9-11,13-14H2,1-5H3,(H,27,31)/t15-,16-/m1/s1
InChIKeyYIVAFBGDWLFUBY-HZPDHXFCSA-N
MW476.55 g/mol
LogP3.27
Rot. Bonds8

About ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate

ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate (PubChem CID 66897695) has the molecular formula C24H33FN4O5 and a molecular weight of 476.55 g/mol. Its IUPAC name is ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate
PubChem CID66897695
Molecular FormulaC24H33FN4O5
Molecular Weight476.55 g/mol
Exact Mass476.24
IUPAC Nameethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C24H33FN4O5/c1-6-33-22(30)16(20-17(25)12-26-18-7-8-19(32-5)28-21(18)20)14-29-10-9-15(13-29)11-27-23(31)34-24(2,3)4/h7-8,12,15-16H,6,9-11,13-14H2,1-5H3,(H,27,31)/t15-,16-/m1/s1
InChIKeyYIVAFBGDWLFUBY-HZPDHXFCSA-N
XLogP3.27
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate (CID 66897695) is ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate is CCOC(=O)[C@H](CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cnc2ccc(OC)nc12.
What is the InChIKey of ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate?
The InChIKey is YIVAFBGDWLFUBY-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H33FN4O5/c1-6-33-22(30)16(20-17(25)12-26-18-7-8-19(32-5)28-21(18)20)14-29-10-9-15(13-29)11-27-23(31)34-24(2,3)4/h7-8,12,15-16H,6,9-11,13-14H2,1-5H3,(H,27,31)/t15-,16-/m1/s1.
What are the key properties of ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate?
ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate has a molecular weight of 476.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 66897695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).