(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C25H41NO5Si — CID 143450035

IUPAC(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC1CN(C(=O)OC(C)(C)C)C(C(=O)O)C[C@@]1(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C25H41NO5Si/c1-17-16-26(22(29)30-23(2,3)4)20(21(27)28)15-25(17,8)18-12-11-13-19(14-18)31-32(9,10)24(5,6)7/h11-14,17,20H,15-16H2,1-10H3,(H,27,28)/t17?,20?,25-/m1/s1
InChIKeyUIDWFTJPXMGTKR-DZMFODKZSA-N
MW463.69 g/mol
LogP6.06
Rot. Bonds4

About (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 143450035) has the molecular formula C25H41NO5Si and a molecular weight of 463.69 g/mol. Its IUPAC name is (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID143450035
Molecular FormulaC25H41NO5Si
Molecular Weight463.69 g/mol
Exact Mass463.28
IUPAC Name(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC1CN(C(=O)OC(C)(C)C)C(C(=O)O)C[C@@]1(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C25H41NO5Si/c1-17-16-26(22(29)30-23(2,3)4)20(21(27)28)15-25(17,8)18-12-11-13-19(14-18)31-32(9,10)24(5,6)7/h11-14,17,20H,15-16H2,1-10H3,(H,27,28)/t17?,20?,25-/m1/s1
InChIKeyUIDWFTJPXMGTKR-DZMFODKZSA-N
XLogP6.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 143450035) is (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC1CN(C(=O)OC(C)(C)C)C(C(=O)O)C[C@@]1(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is UIDWFTJPXMGTKR-DZMFODKZSA-N. The full InChI is InChI=1S/C25H41NO5Si/c1-17-16-26(22(29)30-23(2,3)4)20(21(27)28)15-25(17,8)18-12-11-13-19(14-18)31-32(9,10)24(5,6)7/h11-14,17,20H,15-16H2,1-10H3,(H,27,28)/t17?,20?,25-/m1/s1.
What are the key properties of (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 463.69 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 143450035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).