[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid

C19H42N2O3Si2 — CID 66862137

IUPAC[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid
SMILESC[Si](C)(C)CCN(C[C@H](O[Si](C)(C)C)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C19H42N2O3Si2/c1-25(2,3)13-12-21(19(22)23)15-18(24-26(4,5)6)17(20)14-16-10-8-7-9-11-16/h16-18H,7-15,20H2,1-6H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyARZXZBFPCGTRAP-ROUUACIJSA-N
MW402.73 g/mol
LogP4.82
Rot. Bonds10

About [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid

[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid (PubChem CID 66862137) has the molecular formula C19H42N2O3Si2 and a molecular weight of 402.73 g/mol. Its IUPAC name is [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid
PubChem CID66862137
Molecular FormulaC19H42N2O3Si2
Molecular Weight402.73 g/mol
Exact Mass402.27
IUPAC Name[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid
SMILESC[Si](C)(C)CCN(C[C@H](O[Si](C)(C)C)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C19H42N2O3Si2/c1-25(2,3)13-12-21(19(22)23)15-18(24-26(4,5)6)17(20)14-16-10-8-7-9-11-16/h16-18H,7-15,20H2,1-6H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyARZXZBFPCGTRAP-ROUUACIJSA-N
XLogP4.82
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.73
LogP ≤ 54.82
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 [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid?
The IUPAC name of [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid (CID 66862137) is [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid.
What is the SMILES notation for [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid?
The canonical SMILES for [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid is C[Si](C)(C)CCN(C[C@H](O[Si](C)(C)C)[C@@H](N)CC1CCCCC1)C(=O)O.
What is the InChIKey of [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid?
The InChIKey is ARZXZBFPCGTRAP-ROUUACIJSA-N. The full InChI is InChI=1S/C19H42N2O3Si2/c1-25(2,3)13-12-21(19(22)23)15-18(24-26(4,5)6)17(20)14-16-10-8-7-9-11-16/h16-18H,7-15,20H2,1-6H3,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid?
[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid has a molecular weight of 402.73 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid is sourced from PubChem (CID 66862137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).