[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid

C16H34N2O3Si — CID 66862093

IUPAC[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid
SMILESC[Si](C)(C)CCN[C@@H](CC1CCCCC1)C(O)CNC(=O)O
InChIInChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-17-14(15(19)12-18-16(20)21)11-13-7-5-4-6-8-13/h13-15,17-19H,4-12H2,1-3H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyXSFJIJVUDAKRAR-MLCCFXAWSA-N
MW330.55 g/mol
LogP2.88
Rot. Bonds9

About [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid

[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid (PubChem CID 66862093) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid.

Molecular Properties

Compound Name[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid
PubChem CID66862093
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Name[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid
SMILESC[Si](C)(C)CCN[C@@H](CC1CCCCC1)C(O)CNC(=O)O
InChIInChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-17-14(15(19)12-18-16(20)21)11-13-7-5-4-6-8-13/h13-15,17-19H,4-12H2,1-3H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyXSFJIJVUDAKRAR-MLCCFXAWSA-N
XLogP2.88
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
tert-butyl (2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-ylcarbamate
CID 14179444
tert-butyl N-[(2S,3R)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 14179445
tert-butyl N-[(2S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 14179446
(2R 3S)-N-[(tert-butyloxy)carbonyl]-3-amino-2-(triisopropylsilyloxy)-4-cyclohexyl-1-butanol
CID 15281983
tert-butyl N-[4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamate
CID 17802428
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-4-(2-methylpropylamino)butan-2-yl]carbamate
CID 18603361
tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate
CID 18659855
tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate
CID 18917802
[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid
CID 22849820
tert-butyl N-[1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 23499945

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid?
The IUPAC name of [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid (CID 66862093) is [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid.
What is the SMILES notation for [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid?
The canonical SMILES for [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid is C[Si](C)(C)CCN[C@@H](CC1CCCCC1)C(O)CNC(=O)O.
What is the InChIKey of [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid?
The InChIKey is XSFJIJVUDAKRAR-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-22(2,3)10-9-17-14(15(19)12-18-16(20)21)11-13-7-5-4-6-8-13/h13-15,17-19H,4-12H2,1-3H3,(H,20,21)/t14-,15?/m0/s1.
What are the key properties of [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid?
[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid has a molecular weight of 330.55 g/mol, XLogP of 2.88, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid is sourced from PubChem (CID 66862093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).