[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid

C20H42N2O3Si — CID 123990196

IUPAC[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@](C)(CNC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)O
InChIInChI=1S/C20H42N2O3Si/c1-18(2,3)20(7,22-17(23)24)14-21-15-10-12-16(13-11-15)25-26(8,9)19(4,5)6/h15-16,21-22H,10-14H2,1-9H3,(H,23,24)/t15?,16?,20-/m0/s1
InChIKeyXUFGSXVMEQWYAT-PMTKGXAQSA-N
MW386.65 g/mol
LogP4.98
Rot. Bonds6

About [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid

[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid (PubChem CID 123990196) has the molecular formula C20H42N2O3Si and a molecular weight of 386.65 g/mol. Its IUPAC name is [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid
PubChem CID123990196
Molecular FormulaC20H42N2O3Si
Molecular Weight386.65 g/mol
Exact Mass386.30
IUPAC Name[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@](C)(CNC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)O
InChIInChI=1S/C20H42N2O3Si/c1-18(2,3)20(7,22-17(23)24)14-21-15-10-12-16(13-11-15)25-26(8,9)19(4,5)6/h15-16,21-22H,10-14H2,1-9H3,(H,23,24)/t15?,16?,20-/m0/s1
InChIKeyXUFGSXVMEQWYAT-PMTKGXAQSA-N
XLogP4.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid (CID 123990196) is [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid is CC(C)(C)[C@](C)(CNC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)O.
What is the InChIKey of [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid?
The InChIKey is XUFGSXVMEQWYAT-PMTKGXAQSA-N. The full InChI is InChI=1S/C20H42N2O3Si/c1-18(2,3)20(7,22-17(23)24)14-21-15-10-12-16(13-11-15)25-26(8,9)19(4,5)6/h15-16,21-22H,10-14H2,1-9H3,(H,23,24)/t15?,16?,20-/m0/s1.
What are the key properties of [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid?
[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid has a molecular weight of 386.65 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2,3,3-trimethylbutan-2-yl]carbamic acid is sourced from PubChem (CID 123990196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).