(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C27H37NO6Si — CID 86727733

IUPAC(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO6Si/c1-26(2,3)34-25(31)28-17-23(24(29)30)32-18-20(28)19-33-35(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,17-19H2,1-6H3,(H,29,30)/t20-,23-/m1/s1
InChIKeyGNUMQSSZFHBAMA-NFBKMPQASA-N
MW499.68 g/mol
LogP3.65
Rot. Bonds6

About (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 86727733) has the molecular formula C27H37NO6Si and a molecular weight of 499.68 g/mol. Its IUPAC name is (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID86727733
Molecular FormulaC27H37NO6Si
Molecular Weight499.68 g/mol
Exact Mass499.24
IUPAC Name(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO6Si/c1-26(2,3)34-25(31)28-17-23(24(29)30)32-18-20(28)19-33-35(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,17-19H2,1-6H3,(H,29,30)/t20-,23-/m1/s1
InChIKeyGNUMQSSZFHBAMA-NFBKMPQASA-N
XLogP3.65
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 86727733) is (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is GNUMQSSZFHBAMA-NFBKMPQASA-N. The full InChI is InChI=1S/C27H37NO6Si/c1-26(2,3)34-25(31)28-17-23(24(29)30)32-18-20(28)19-33-35(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,17-19H2,1-6H3,(H,29,30)/t20-,23-/m1/s1.
What are the key properties of (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 499.68 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 86727733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).