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

C27H36N2O5 — CID 134905615

IUPAC[(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](CCN(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C27H36N2O5/c1-26(2)20-33-27(3,4)29(26)25(31)34-23(24(30)32-5)16-17-28(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3/t23-/m0/s1
InChIKeyYZLKQXHVNOAMPM-QHCPKHFHSA-N
MW468.59 g/mol
LogP4.60
Rot. Bonds9

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

[(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134905615) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134905615
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name[(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](CCN(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C27H36N2O5/c1-26(2)20-33-27(3,4)29(26)25(31)34-23(24(30)32-5)16-17-28(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3/t23-/m0/s1
InChIKeyYZLKQXHVNOAMPM-QHCPKHFHSA-N
XLogP4.60
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
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Kfjhdoczcbpxqe-nvqxnpdnsa-
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Kfjhdoczcbpxqe-bkmjkugqsa-
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Jglqlanqixuqod-rdgatrhjsa-
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[(3S,4R)-4-acetyloxy-1-benzyl-2,5-dioxopyrrolidin-3-yl] acetate
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2-(Dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11036712
3-(Dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11058677
[(2R)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11812680
Methyl 2-[2-(dibenzylamino)ethoxy]-2-fluorobutanoate
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(4S,5S)-4,5-Bis(acetyloxy)-1-(phenylmethyl)-2-pyrrolidinone
CID 10637302
[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11828103
[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945799

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134905615) is [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@H](CCN(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YZLKQXHVNOAMPM-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-26(2)20-33-27(3,4)29(26)25(31)34-23(24(30)32-5)16-17-28(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3/t23-/m0/s1.
What are the key properties of [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 468.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134905615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).