tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate

C18H38N2O4Si — CID 19817513

IUPACtert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate
SMILESCC(C)CC(N)C(O[Si](C)(C)C(C)(C)C)C(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H38N2O4Si/c1-12(2)11-13(19)14(24-25(9,10)18(6,7)8)15(21)20-16(22)23-17(3,4)5/h12-14H,11,19H2,1-10H3,(H,20,21,22)
InChIKeyQXQRGZMZSJLOBV-UHFFFAOYSA-N
MW374.60 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate

tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate (PubChem CID 19817513) has the molecular formula C18H38N2O4Si and a molecular weight of 374.60 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate
PubChem CID19817513
Molecular FormulaC18H38N2O4Si
Molecular Weight374.60 g/mol
Exact Mass374.26
IUPAC Nametert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate
SMILESCC(C)CC(N)C(O[Si](C)(C)C(C)(C)C)C(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H38N2O4Si/c1-12(2)11-13(19)14(24-25(9,10)18(6,7)8)15(21)20-16(22)23-17(3,4)5/h12-14H,11,19H2,1-10H3,(H,20,21,22)
InChIKeyQXQRGZMZSJLOBV-UHFFFAOYSA-N
XLogP3.80
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-amino-2-[tert-butyl(dimethyl)silyl]oxyacetyl]carbamate
CID 139606123
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
CID 58760245
(2S)-3-amino-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 87751195
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
(2R)-4-amino-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]heptanoic acid
CID 71433229
tert-butyl N-[(2S)-2-[methoxy(methyl)amino]-4-methylpentanoyl]carbamate
CID 54094501
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate (CID 19817513) is tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate is CC(C)CC(N)C(O[Si](C)(C)C(C)(C)C)C(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate?
The InChIKey is QXQRGZMZSJLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O4Si/c1-12(2)11-13(19)14(24-25(9,10)18(6,7)8)15(21)20-16(22)23-17(3,4)5/h12-14H,11,19H2,1-10H3,(H,20,21,22).
What are the key properties of tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate?
tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate has a molecular weight of 374.60 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate is sourced from PubChem (CID 19817513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).