methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate

C23H29N3O5 — CID 156749567

IUPACmethyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1c1cc(N2CCOCC2)cc(OCc2ccc(OC)cc2)n1
InChIInChI=1S/C23H29N3O5/c1-28-19-7-5-17(6-8-19)16-31-22-15-18(25-10-12-30-13-11-25)14-21(24-22)26-9-3-4-20(26)23(27)29-2/h5-8,14-15,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1
InChIKeyIMDRLGSSFYUIHD-FQEVSTJZSA-N
MW427.50 g/mol
LogP2.65
Rot. Bonds7

About methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate (PubChem CID 156749567) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate
PubChem CID156749567
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Namemethyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1c1cc(N2CCOCC2)cc(OCc2ccc(OC)cc2)n1
InChIInChI=1S/C23H29N3O5/c1-28-19-7-5-17(6-8-19)16-31-22-15-18(25-10-12-30-13-11-25)14-21(24-22)26-9-3-4-20(26)23(27)29-2/h5-8,14-15,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1
InChIKeyIMDRLGSSFYUIHD-FQEVSTJZSA-N
XLogP2.65
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate (CID 156749567) is methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1c1cc(N2CCOCC2)cc(OCc2ccc(OC)cc2)n1.
What is the InChIKey of methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate?
The InChIKey is IMDRLGSSFYUIHD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-28-19-7-5-17(6-8-19)16-31-22-15-18(25-10-12-30-13-11-25)14-21(24-22)26-9-3-4-20(26)23(27)29-2/h5-8,14-15,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1.
What are the key properties of methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 156749567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).