CID 173291484

C19H40BN2O4Si — CID 173291484

IUPAC—
SMILESC[SiH](C)O[C@@]1(CCCNCO)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C.[B]
InChIInChI=1S/C19H40N2O4Si.B/c1-17(2,3)15-12-19(25-26(7)8,10-9-11-20-14-22)21(13-15)16(23)24-18(4,5)6;/h15,20,22,26H,9-14H2,1-8H3;/t15-,19-;/m0./s1
InChIKeySNUORNLFRFDMTK-GIDGLZBFSA-N
MW399.44 g/mol
LogP2.92
Rot. Bonds7

About CID 173291484

CID 173291484 (PubChem CID 173291484) has the molecular formula C19H40BN2O4Si and a molecular weight of 399.44 g/mol.

Molecular Properties

Compound NameCID 173291484
PubChem CID173291484
Molecular FormulaC19H40BN2O4Si
Molecular Weight399.44 g/mol
Exact Mass399.29
IUPAC Name—
SMILESC[SiH](C)O[C@@]1(CCCNCO)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C.[B]
InChIInChI=1S/C19H40N2O4Si.B/c1-17(2,3)15-12-19(25-26(7)8,10-9-11-20-14-22)21(13-15)16(23)24-18(4,5)6;/h15,20,22,26H,9-14H2,1-8H3;/t15-,19-;/m0./s1
InChIKeySNUORNLFRFDMTK-GIDGLZBFSA-N
XLogP2.92
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388211
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(Z)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388210
tert-butyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 173279486
tert-butyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 125424082
tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 126838253
tert-butyl (2S,4R)-2-[2-(butoxycarbonylamino)-1-hydroxyethyl]-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291267
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate
CID 125448936
prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxylate
CID 173325459

Frequently Asked Questions

What is the IUPAC name of CID 173291484?
The IUPAC name of CID 173291484 (CID 173291484) is not available.
What is the SMILES notation for CID 173291484?
The canonical SMILES for CID 173291484 is C[SiH](C)O[C@@]1(CCCNCO)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C.[B].
What is the InChIKey of CID 173291484?
The InChIKey is SNUORNLFRFDMTK-GIDGLZBFSA-N. The full InChI is InChI=1S/C19H40N2O4Si.B/c1-17(2,3)15-12-19(25-26(7)8,10-9-11-20-14-22)21(13-15)16(23)24-18(4,5)6;/h15,20,22,26H,9-14H2,1-8H3;/t15-,19-;/m0./s1.
What are the key properties of CID 173291484?
CID 173291484 has a molecular weight of 399.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173291484 is sourced from PubChem (CID 173291484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).