(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide

C20H37N3O3Si — CID 46927400

IUPAC(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H]2CCCN21
InChIInChI=1S/C20H37N3O3Si/c1-19(2,3)21-17(24)16-15-14(12-26-27(7,8)20(4,5)6)23(15)18(25)13-10-9-11-22(13)16/h13-16H,9-12H2,1-8H3,(H,21,24)/t13-,14+,15-,16+,23?/m0/s1
InChIKeyMULOEKHNNQVSCM-AXMGPVGOSA-N
MW395.62 g/mol
LogP2.35
Rot. Bonds4

About (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide

(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide (PubChem CID 46927400) has the molecular formula C20H37N3O3Si and a molecular weight of 395.62 g/mol. Its IUPAC name is (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
PubChem CID46927400
Molecular FormulaC20H37N3O3Si
Molecular Weight395.62 g/mol
Exact Mass395.26
IUPAC Name(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H]2CCCN21
InChIInChI=1S/C20H37N3O3Si/c1-19(2,3)21-17(24)16-15-14(12-26-27(7,8)20(4,5)6)23(15)18(25)13-10-9-11-22(13)16/h13-16H,9-12H2,1-8H3,(H,21,24)/t13-,14+,15-,16+,23?/m0/s1
InChIKeyMULOEKHNNQVSCM-AXMGPVGOSA-N
XLogP2.35
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide with MolForge

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Related Compounds

(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
CID 134967598
(2S,3S,7S)-N-tert-butyl-6-oxo-1,5-diazatricyclo[5.2.0.03,5]nonane-2-carboxamide
CID 102593143
(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 66669442
tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
(3R,5R,6R,7S)-N-tert-butyl-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-phenylethyl)-1,4-diazabicyclo[4.1.0]heptane-5-carboxamide
CID 101498061
tert-butyl (2S,3R)-2-(tert-butylcarbamoyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 22872710
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 162782515
methyl 2-[(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 15347120
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 141190377

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
The IUPAC name of (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide (CID 46927400) is (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide is CC(C)(C)NC(=O)[C@H]1[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H]2CCCN21.
What is the InChIKey of (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
The InChIKey is MULOEKHNNQVSCM-AXMGPVGOSA-N. The full InChI is InChI=1S/C20H37N3O3Si/c1-19(2,3)21-17(24)16-15-14(12-26-27(7,8)20(4,5)6)23(15)18(25)13-10-9-11-22(13)16/h13-16H,9-12H2,1-8H3,(H,21,24)/t13-,14+,15-,16+,23?/m0/s1.
What are the key properties of (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide has a molecular weight of 395.62 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide is sourced from PubChem (CID 46927400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).