2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate

C16H34N2O3Si — CID 57462032

IUPAC2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NC[C@@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-21-16(20)18-12-15(19)14(17)11-13-7-5-4-6-8-13/h13-15,19H,4-12,17H2,1-3H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyBJVFYWNZJNAYPT-LSDHHAIUSA-N
MW330.55 g/mol
LogP2.71
Rot. Bonds8

About 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate

2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate (PubChem CID 57462032) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
PubChem CID57462032
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Name2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NC[C@@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-21-16(20)18-12-15(19)14(17)11-13-7-5-4-6-8-13/h13-15,19H,4-12,17H2,1-3H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyBJVFYWNZJNAYPT-LSDHHAIUSA-N
XLogP2.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate (CID 57462032) is 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate is C[Si](C)(C)CCOC(=O)NC[C@@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate?
The InChIKey is BJVFYWNZJNAYPT-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-21-16(20)18-12-15(19)14(17)11-13-7-5-4-6-8-13/h13-15,19H,4-12,17H2,1-3H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate?
2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate has a molecular weight of 330.55 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate is sourced from PubChem (CID 57462032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).