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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Related Compounds

2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 69262733
(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine
CID 68711280
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate
CID 67190569
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
CID 14478731
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
tert-butyl (3S)-2-amino-3-[(2-amino-2-oxoethyl)-(2-trimethylsilylethoxycarbonyl)amino]-4-cyclohexylbutanoate
CID 67189677
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
[(2S,3R,4S)-4-amino-5-cyclohexyl-3-hydroxy-1-(propan-2-ylcarbamoylamino)pentan-2-yl] acetate
CID 70044940
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
CID 88638536
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252

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).