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

C20H42N2O3Si — CID 67362952

IUPACtert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid
SMILESC[C@H](CNC1CCC(O[Si](C)(C)C(C)(C)C)CC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H42N2O3Si/c1-15(22(18(23)24)19(2,3)4)14-21-16-10-12-17(13-11-16)25-26(8,9)20(5,6)7/h15-17,21H,10-14H2,1-9H3,(H,23,24)/t15-,16?,17?/m1/s1
InChIKeyKUJUBQZJPQLKMS-KLAILNCOSA-N
MW386.65 g/mol
LogP5.08
Rot. Bonds6

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

tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid (PubChem CID 67362952) has the molecular formula C20H42N2O3Si and a molecular weight of 386.65 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid
PubChem CID67362952
Molecular FormulaC20H42N2O3Si
Molecular Weight386.65 g/mol
Exact Mass386.30
IUPAC Nametert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid
SMILESC[C@H](CNC1CCC(O[Si](C)(C)C(C)(C)C)CC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H42N2O3Si/c1-15(22(18(23)24)19(2,3)4)14-21-16-10-12-17(13-11-16)25-26(8,9)20(5,6)7/h15-17,21H,10-14H2,1-9H3,(H,23,24)/t15-,16?,17?/m1/s1
InChIKeyKUJUBQZJPQLKMS-KLAILNCOSA-N
XLogP5.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.08
H-Bond Donors ≤ 52
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 tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid (CID 67362952) is tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid is C[C@H](CNC1CCC(O[Si](C)(C)C(C)(C)C)CC1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid?
The InChIKey is KUJUBQZJPQLKMS-KLAILNCOSA-N. The full InChI is InChI=1S/C20H42N2O3Si/c1-15(22(18(23)24)19(2,3)4)14-21-16-10-12-17(13-11-16)25-26(8,9)20(5,6)7/h15-17,21H,10-14H2,1-9H3,(H,23,24)/t15-,16?,17?/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid has a molecular weight of 386.65 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 67362952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).