(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide

C21H34N2O5Si — CID 10669941

IUPAC(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(O)(C(=O)N(CC(N)=O)Cc2ccccc2)O1
InChIInChI=1S/C21H34N2O5Si/c1-20(2,3)29(4,5)27-15-17-11-12-21(26,28-17)19(25)23(14-18(22)24)13-16-9-7-6-8-10-16/h6-10,17,26H,11-15H2,1-5H3,(H2,22,24)/t17-,21?/m0/s1
InChIKeyHJGHWDXGWCHLPM-PBVYKCSPSA-N
MW422.60 g/mol
LogP2.39
Rot. Bonds8

About (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide

(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide (PubChem CID 10669941) has the molecular formula C21H34N2O5Si and a molecular weight of 422.60 g/mol. Its IUPAC name is (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide
PubChem CID10669941
Molecular FormulaC21H34N2O5Si
Molecular Weight422.60 g/mol
Exact Mass422.22
IUPAC Name(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(O)(C(=O)N(CC(N)=O)Cc2ccccc2)O1
InChIInChI=1S/C21H34N2O5Si/c1-20(2,3)29(4,5)27-15-17-11-12-21(26,28-17)19(25)23(14-18(22)24)13-16-9-7-6-8-10-16/h6-10,17,26H,11-15H2,1-5H3,(H2,22,24)/t17-,21?/m0/s1
InChIKeyHJGHWDXGWCHLPM-PBVYKCSPSA-N
XLogP2.39
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide 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

(2R,5S)-5-[2-(dimethylamino)ethyl-[(3-fluorophenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 119053383
(2R,5S)-5-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 121776048
(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10597384
(2S,5R)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10621264
(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 10621265
(2S,5R)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
CID 10644994
(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
CID 11795589
5-[[[2-(Benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103240668
(2R,5S)-5-[(3-amino-3-oxopropyl)-benzylcarbamoyl]oxolane-2-carboxylic acid
CID 121775732
(2R,5S)-5-[[2-[benzyl(methyl)amino]-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 121775964
(2R,5S)-5-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 121776416
(2R,5S)-5-[[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 121776432

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide?
The IUPAC name of (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide (CID 10669941) is (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide.
What is the SMILES notation for (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide?
The canonical SMILES for (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(O)(C(=O)N(CC(N)=O)Cc2ccccc2)O1.
What is the InChIKey of (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide?
The InChIKey is HJGHWDXGWCHLPM-PBVYKCSPSA-N. The full InChI is InChI=1S/C21H34N2O5Si/c1-20(2,3)29(4,5)27-15-17-11-12-21(26,28-17)19(25)23(14-18(22)24)13-16-9-7-6-8-10-16/h6-10,17,26H,11-15H2,1-5H3,(H2,22,24)/t17-,21?/m0/s1.
What are the key properties of (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide?
(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide has a molecular weight of 422.60 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide is sourced from PubChem (CID 10669941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).