2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

C35H72N4O6Si2 — CID 69262733

IUPAC2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CNC(=O)OCC[Si](C)(C)C)CC1CCCCC1.C[Si](C)(C)CCOC(=O)NC[C@@H](N)CC1CCCCC1
InChIInChI=1S/C20H40N2O4Si.C15H32N2O2Si/c1-20(2,3)26-19(24)22-17(14-16-10-8-7-9-11-16)15-21-18(23)25-12-13-27(4,5)6;1-20(2,3)10-9-19-15(18)17-12-14(16)11-13-7-5-4-6-8-13/h16-17H,7-15H2,1-6H3,(H,21,23)(H,22,24);13-14H,4-12,16H2,1-3H3,(H,17,18)/t17-;14-/m00/s1
InChIKeyVCXMGWJGUBZZKH-RHJCVVSCSA-N
MW701.16 g/mol
LogP8.26
Rot. Bonds15

About 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (PubChem CID 69262733) has the molecular formula C35H72N4O6Si2 and a molecular weight of 701.16 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
PubChem CID69262733
Molecular FormulaC35H72N4O6Si2
Molecular Weight701.16 g/mol
Exact Mass700.50
IUPAC Name2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CNC(=O)OCC[Si](C)(C)C)CC1CCCCC1.C[Si](C)(C)CCOC(=O)NC[C@@H](N)CC1CCCCC1
InChIInChI=1S/C20H40N2O4Si.C15H32N2O2Si/c1-20(2,3)26-19(24)22-17(14-16-10-8-7-9-11-16)15-21-18(23)25-12-13-27(4,5)6;1-20(2,3)10-9-19-15(18)17-12-14(16)11-13-7-5-4-6-8-13/h16-17H,7-15H2,1-6H3,(H,21,23)(H,22,24);13-14H,4-12,16H2,1-3H3,(H,17,18)/t17-;14-/m00/s1
InChIKeyVCXMGWJGUBZZKH-RHJCVVSCSA-N
XLogP8.26
TPSA141.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.16
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
CID 57462032
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
benzyl N-[(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 59199757
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate
CID 90274253
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine
CID 68711280
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The IUPAC name of 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) is 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is CC(C)(C)OC(=O)N[C@H](CNC(=O)OCC[Si](C)(C)C)CC1CCCCC1.C[Si](C)(C)CCOC(=O)NC[C@@H](N)CC1CCCCC1.
What is the InChIKey of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The InChIKey is VCXMGWJGUBZZKH-RHJCVVSCSA-N. The full InChI is InChI=1S/C20H40N2O4Si.C15H32N2O2Si/c1-20(2,3)26-19(24)22-17(14-16-10-8-7-9-11-16)15-21-18(23)25-12-13-27(4,5)6;1-20(2,3)10-9-19-15(18)17-12-14(16)11-13-7-5-4-6-8-13/h16-17H,7-15H2,1-6H3,(H,21,23)(H,22,24);13-14H,4-12,16H2,1-3H3,(H,17,18)/t17-;14-/m00/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate has a molecular weight of 701.16 g/mol, XLogP of 8.26, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is sourced from PubChem (CID 69262733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).