tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C24H43NO6 — CID 22848267

IUPACtert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](C(C)C)[C@H](O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1
InChIInChI=1S/C24H43NO6/c1-15(2)18(21(27)29-8)19(26)20-17(14-16-12-10-9-11-13-16)25(24(6,7)30-20)22(28)31-23(3,4)5/h15-20,26H,9-14H2,1-8H3/t17-,18+,19-,20+/m0/s1
InChIKeyTZHRXLYGJUNNQL-ZGXWSNOMSA-N
MW441.61 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 22848267) has the molecular formula C24H43NO6 and a molecular weight of 441.61 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID22848267
Molecular FormulaC24H43NO6
Molecular Weight441.61 g/mol
Exact Mass441.31
IUPAC Nametert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](C(C)C)[C@H](O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1
InChIInChI=1S/C24H43NO6/c1-15(2)18(21(27)29-8)19(26)20-17(14-16-12-10-9-11-13-16)25(24(6,7)30-20)22(28)31-23(3,4)5/h15-20,26H,9-14H2,1-8H3/t17-,18+,19-,20+/m0/s1
InChIKeyTZHRXLYGJUNNQL-ZGXWSNOMSA-N
XLogP4.50
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 22848267) is tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@H](C(C)C)[C@H](O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1.
What is the InChIKey of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is TZHRXLYGJUNNQL-ZGXWSNOMSA-N. The full InChI is InChI=1S/C24H43NO6/c1-15(2)18(21(27)29-8)19(26)20-17(14-16-12-10-9-11-13-16)25(24(6,7)30-20)22(28)31-23(3,4)5/h15-20,26H,9-14H2,1-8H3/t17-,18+,19-,20+/m0/s1.
What are the key properties of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 441.61 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22848267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).