(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid

C20H38N2O5Si — CID 69446341

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)O)C(CCNC2CCCCC2)(C(=O)O)C1
InChIInChI=1S/C20H38N2O5Si/c1-19(2,3)28(4,5)27-16-13-20(17(23)24,22(14-16)18(25)26)11-12-21-15-9-7-6-8-10-15/h15-16,21H,6-14H2,1-5H3,(H,23,24)(H,25,26)/t16-,20?/m1/s1
InChIKeyVXYCIYZKTDSBIB-QRIPLOBPSA-N
MW414.62 g/mol
LogP3.90
Rot. Bonds7

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid (PubChem CID 69446341) has the molecular formula C20H38N2O5Si and a molecular weight of 414.62 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid
PubChem CID69446341
Molecular FormulaC20H38N2O5Si
Molecular Weight414.62 g/mol
Exact Mass414.25
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)O)C(CCNC2CCCCC2)(C(=O)O)C1
InChIInChI=1S/C20H38N2O5Si/c1-19(2,3)28(4,5)27-16-13-20(17(23)24,22(14-16)18(25)26)11-12-21-15-9-7-6-8-10-15/h15-16,21H,6-14H2,1-5H3,(H,23,24)(H,25,26)/t16-,20?/m1/s1
InChIKeyVXYCIYZKTDSBIB-QRIPLOBPSA-N
XLogP3.90
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid (CID 69446341) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid is CC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)O)C(CCNC2CCCCC2)(C(=O)O)C1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is VXYCIYZKTDSBIB-QRIPLOBPSA-N. The full InChI is InChI=1S/C20H38N2O5Si/c1-19(2,3)28(4,5)27-16-13-20(17(23)24,22(14-16)18(25)26)11-12-21-15-9-7-6-8-10-15/h15-16,21H,6-14H2,1-5H3,(H,23,24)(H,25,26)/t16-,20?/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 414.62 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 69446341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).