(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid

C20H37NO4Si — CID 91595253

IUPAC(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCN1C(=O)CC[C@@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C20H37NO4Si/c1-20(2,3)26(4,5)25-17(15-9-7-6-8-10-15)13-14-21-16(19(23)24)11-12-18(21)22/h15-17H,6-14H2,1-5H3,(H,23,24)/t16-,17+/m1/s1
InChIKeyCSLYINPXUJMXGD-SJORKVTESA-N
MW383.61 g/mol
LogP4.42
Rot. Bonds7

About (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid

(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 91595253) has the molecular formula C20H37NO4Si and a molecular weight of 383.61 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID91595253
Molecular FormulaC20H37NO4Si
Molecular Weight383.61 g/mol
Exact Mass383.25
IUPAC Name(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCN1C(=O)CC[C@@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C20H37NO4Si/c1-20(2,3)26(4,5)25-17(15-9-7-6-8-10-15)13-14-21-16(19(23)24)11-12-18(21)22/h15-17H,6-14H2,1-5H3,(H,23,24)/t16-,17+/m1/s1
InChIKeyCSLYINPXUJMXGD-SJORKVTESA-N
XLogP4.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 90878993
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
5-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,5-diazacycloundecane-6-carboxylic acid
CID 110200326
tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]piperidine-1-carboxylate
CID 171613411
7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-1-methyl-5-oxocyclopent-2-en-1-yl]heptanoic acid
CID 18636792

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid (CID 91595253) is (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H](CCN1C(=O)CC[C@@H]1C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is CSLYINPXUJMXGD-SJORKVTESA-N. The full InChI is InChI=1S/C20H37NO4Si/c1-20(2,3)26(4,5)25-17(15-9-7-6-8-10-15)13-14-21-16(19(23)24)11-12-18(21)22/h15-17H,6-14H2,1-5H3,(H,23,24)/t16-,17+/m1/s1.
What are the key properties of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid?
(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 383.61 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 91595253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).