(4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

C28H33NO3Si — CID 11015977

IUPAC(4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO3Si/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-21-26-25(19-27(30)32-26)29-20-22-13-7-4-8-14-22/h4-18,25-26,29H,19-21H2,1-3H3/t25-,26+/m0/s1
InChIKeyWMNYIIGUEKLPLW-IZZNHLLZSA-N
MW459.66 g/mol
LogP4.04
Rot. Bonds8

About (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

(4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 11015977) has the molecular formula C28H33NO3Si and a molecular weight of 459.66 g/mol. Its IUPAC name is (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID11015977
Molecular FormulaC28H33NO3Si
Molecular Weight459.66 g/mol
Exact Mass459.22
IUPAC Name(4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO3Si/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-21-26-25(19-27(30)32-26)29-20-22-13-7-4-8-14-22/h4-18,25-26,29H,19-21H2,1-3H3/t25-,26+/m0/s1
InChIKeyWMNYIIGUEKLPLW-IZZNHLLZSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 15863910
4-(Benzylamino)dihydro-5-methyl-2-(3h)-furanone hydrochloride
CID 129655032
(3R,4R)-3-(benzylazaniumyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate
CID 134871814
methyl 3-[benzhydryl-[tert-butyl(dimethyl)silyl]oxyamino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 134924753
(1R)-N-benzyl-1-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]prop-2-en-1-amine
CID 12168941
(1S)-N-benzyl-1-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]prop-2-en-1-amine
CID 21576468
Tert-butyl 3-(benzylamino)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 18465678
tert-butyl (3S)-3-(benzylamino)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 58357202
methyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[[(1S)-1-phenylethyl]amino]hexanoate
CID 123637191
Methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 150506658
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-[[(1S)-1-phenylethyl]amino]hexanoate
CID 173586655
(2R)-2-[(2S,3R)-3-(benzylamino)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]oxypropanoic acid
CID 176205690

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 11015977) is (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1NCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is WMNYIIGUEKLPLW-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H33NO3Si/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-21-26-25(19-27(30)32-26)29-20-22-13-7-4-8-14-22/h4-18,25-26,29H,19-21H2,1-3H3/t25-,26+/m0/s1.
What are the key properties of (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
(4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 459.66 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(benzylamino)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 11015977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).