[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C28H38N2O5 — CID 101080526

IUPAC[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H]([C@H](OC(=O)N1C(C)(C)COC1(C)C)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H38N2O5/c1-7-23(29(18-21-14-10-8-11-15-21)19-22-16-12-9-13-17-22)24(25(31)33-6)35-26(32)30-27(2,3)20-34-28(30,4)5/h8-17,23-24H,7,18-20H2,1-6H3/t23-,24+/m1/s1
InChIKeyRATAVPSJFONSOH-RPWUZVMVSA-N
MW482.62 g/mol
LogP4.99
Rot. Bonds9

About [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101080526) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101080526
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC Name[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H]([C@H](OC(=O)N1C(C)(C)COC1(C)C)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H38N2O5/c1-7-23(29(18-21-14-10-8-11-15-21)19-22-16-12-9-13-17-22)24(25(31)33-6)35-26(32)30-27(2,3)20-34-28(30,4)5/h8-17,23-24H,7,18-20H2,1-6H3/t23-,24+/m1/s1
InChIKeyRATAVPSJFONSOH-RPWUZVMVSA-N
XLogP4.99
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134924728
[(2R,3S)-3-(dibenzylamino)-5-methylhexan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945800
[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134973276
[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100997051
[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 102092048
benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19783758
[(2S,3S,4S,5S)-1,6-dicyclohexyl-2,5-bis(dibenzylamino)-4-hydroxyhexan-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 24799089
[(2R,4S)-4-(dibenzylamino)-5-trityloxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100917217
[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134905626
[(1R,2R,3S)-2-benzyl-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 135054445
[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134905351
[(1R,2E)-2-benzylidene-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100951874

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 101080526) is [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC[C@H]([C@H](OC(=O)N1C(C)(C)COC1(C)C)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RATAVPSJFONSOH-RPWUZVMVSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-7-23(29(18-21-14-10-8-11-15-21)19-22-16-12-9-13-17-22)24(25(31)33-6)35-26(32)30-27(2,3)20-34-28(30,4)5/h8-17,23-24H,7,18-20H2,1-6H3/t23-,24+/m1/s1.
What are the key properties of [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 482.62 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101080526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).