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

C16H34N2O3Si — CID 66862092

IUPAC[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid
SMILESC[Si](C)(C)CCN(C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-18(16(20)21)12-15(19)14(17)11-13-7-5-4-6-8-13/h13-15,19H,4-12,17H2,1-3H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyUAJSFXIJPIVBKU-GJZGRUSLSA-N
MW330.55 g/mol
LogP2.96
Rot. Bonds8

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

[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid (PubChem CID 66862092) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid
PubChem CID66862092
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Name[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid
SMILESC[Si](C)(C)CCN(C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-18(16(20)21)12-15(19)14(17)11-13-7-5-4-6-8-13/h13-15,19H,4-12,17H2,1-3H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyUAJSFXIJPIVBKU-GJZGRUSLSA-N
XLogP2.96
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.96
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 [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid?
The IUPAC name of [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid (CID 66862092) is [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid.
What is the SMILES notation for [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid?
The canonical SMILES for [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid is C[Si](C)(C)CCN(C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O.
What is the InChIKey of [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid?
The InChIKey is UAJSFXIJPIVBKU-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-18(16(20)21)12-15(19)14(17)11-13-7-5-4-6-8-13/h13-15,19H,4-12,17H2,1-3H3,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid?
[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid has a molecular weight of 330.55 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid is sourced from PubChem (CID 66862092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).