methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate

C19H21NO4 — CID 59266450

IUPACmethyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate
SMILESC=Cc1cc2cc([C@@]3(O)CN[C@H](C(=O)OC)C3)ccc2cc1OC
InChIInChI=1S/C19H21NO4/c1-4-12-7-14-8-15(6-5-13(14)9-17(12)23-2)19(22)10-16(20-11-19)18(21)24-3/h4-9,16,20,22H,1,10-11H2,2-3H3/t16-,19-/m0/s1
InChIKeyMMBWKRZAXRIKLA-LPHOPBHVSA-N
MW327.38 g/mol
LogP2.21
Rot. Bonds4

About methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 59266450) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID59266450
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate
SMILESC=Cc1cc2cc([C@@]3(O)CN[C@H](C(=O)OC)C3)ccc2cc1OC
InChIInChI=1S/C19H21NO4/c1-4-12-7-14-8-15(6-5-13(14)9-17(12)23-2)19(22)10-16(20-11-19)18(21)24-3/h4-9,16,20,22H,1,10-11H2,2-3H3/t16-,19-/m0/s1
InChIKeyMMBWKRZAXRIKLA-LPHOPBHVSA-N
XLogP2.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate (CID 59266450) is methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate is C=Cc1cc2cc([C@@]3(O)CN[C@H](C(=O)OC)C3)ccc2cc1OC.
What is the InChIKey of methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is MMBWKRZAXRIKLA-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-12-7-14-8-15(6-5-13(14)9-17(12)23-2)19(22)10-16(20-11-19)18(21)24-3/h4-9,16,20,22H,1,10-11H2,2-3H3/t16-,19-/m0/s1.
What are the key properties of methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 59266450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).