(2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid

C26H35NO6Si — CID 90966009

IUPAC(2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESC=Cc1cc2cc([C@@]3(OC)CN(C(=O)OCC[Si](C)(C)C)[C@](C)(C(=O)O)C3)ccc2cc1OC
InChIInChI=1S/C26H35NO6Si/c1-8-18-13-20-14-21(10-9-19(20)15-22(18)31-3)26(32-4)16-25(2,23(28)29)27(17-26)24(30)33-11-12-34(5,6)7/h8-10,13-15H,1,11-12,16-17H2,2-7H3,(H,28,29)/t25-,26-/m0/s1
InChIKeyDZYAKRVECVUSPI-UIOOFZCWSA-N
MW485.65 g/mol
LogP5.36
Rot. Bonds8

About (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 90966009) has the molecular formula C26H35NO6Si and a molecular weight of 485.65 g/mol. Its IUPAC name is (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID90966009
Molecular FormulaC26H35NO6Si
Molecular Weight485.65 g/mol
Exact Mass485.22
IUPAC Name(2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESC=Cc1cc2cc([C@@]3(OC)CN(C(=O)OCC[Si](C)(C)C)[C@](C)(C(=O)O)C3)ccc2cc1OC
InChIInChI=1S/C26H35NO6Si/c1-8-18-13-20-14-21(10-9-19(20)15-22(18)31-3)26(32-4)16-25(2,23(28)29)27(17-26)24(30)33-11-12-34(5,6)7/h8-10,13-15H,1,11-12,16-17H2,2-7H3,(H,28,29)/t25-,26-/m0/s1
InChIKeyDZYAKRVECVUSPI-UIOOFZCWSA-N
XLogP5.36
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Naphthyl prolinyl ether
CID 58593933
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[3-(1,1-difluoroprop-2-enyl)naphthalen-2-yl]oxy-4-methylpyrrolidine-1,2-dicarboxylate
CID 66800380
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[3-[(E)-1,1-difluoro-4-methoxybut-2-enyl]naphthalen-2-yl]oxy-4-methylpyrrolidine-1,2-dicarboxylate
CID 66800438
(2'S,3R)-9-methoxy-1'-[(2S)-2-methylnon-8-enoyl]-5-(trifluoromethyl)spiro[1,2-dihydrobenzo[f]chromene-3,4'-pyrrolidine]-2'-carboxylic acid
CID 89983305
US9512068, Ndh4618
CID 118693158
(2S,4S)-1-(Tert-butoxycarbonyl)-4-(2-naphthyloxy)-2-pyrrolidinecarboxylic acid
CID 2756011
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
CID 4712520
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-ylacetyl)-L-proline
CID 15021269
1-O-tert-butyl 2-O-methyl 4-naphthalen-1-yloxypyrrolidine-1,2-dicarboxylate
CID 23595758
(2S,4S)-1-(Tert-butoxycarbonyl)-4-(1-naphthyloxy)-2-pyrrolidinecarboxylic acid
CID 26192684
5-(Diethylamino)-3-(6-methoxynaphthalen-2-yl)-2-(oxolan-2-ylmethyl)pentanoic acid
CID 57293326
(2S,4R)-4-(1,2-dihydrobenzo[e][1]benzofuran-6-yloxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 58594033

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 90966009) is (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid is C=Cc1cc2cc([C@@]3(OC)CN(C(=O)OCC[Si](C)(C)C)[C@](C)(C(=O)O)C3)ccc2cc1OC.
What is the InChIKey of (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DZYAKRVECVUSPI-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H35NO6Si/c1-8-18-13-20-14-21(10-9-19(20)15-22(18)31-3)26(32-4)16-25(2,23(28)29)27(17-26)24(30)33-11-12-34(5,6)7/h8-10,13-15H,1,11-12,16-17H2,2-7H3,(H,28,29)/t25-,26-/m0/s1.
What are the key properties of (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 485.65 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90966009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).