tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C15H26N2O5 — CID 157152097

IUPACtert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(=O)NCC(=O)C1(C)COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-10(18)16-8-11(19)15(7)9-21-14(5,6)17(15)12(20)22-13(2,3)4/h8-9H2,1-7H3,(H,16,18)
InChIKeyALJKVAQOLOSZED-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.45
Rot. Bonds3

About tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 157152097) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID157152097
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(=O)NCC(=O)C1(C)COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-10(18)16-8-11(19)15(7)9-21-14(5,6)17(15)12(20)22-13(2,3)4/h8-9H2,1-7H3,(H,16,18)
InChIKeyALJKVAQOLOSZED-UHFFFAOYSA-N
XLogP1.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(E)-N'-hydroxycarbamimidoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 118308717
2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-dithiadiphosphetane;tert-butyl 4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 157207650
tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 118318179
tert-butyl (4R)-2,2,4-trimethyl-4-[[[4-prop-2-enoxy-3-(trifluoromethyl)benzoyl]amino]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 59384294
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl (4S)-2,2,4-trimethyl-4-[[4-[2-(4-phenylphenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 58907598
1-O-tert-butyl 2-O,6-O-dimethyl (2S,6R)-2,6-dimethylpiperidine-1,2,6-tricarboxylate
CID 15212625
tert-butyl 4-(6-bromo-2-pyridinyl)-2,2-dimethyl-4-(2-oxoethylcarbamoyl)-1,3-oxazolidine-3-carboxylate
CID 87448521
tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate
CID 174065801
tert-butyl 2,2,4-trimethyl-4-[[[4-(3-phenylmethoxyphenyl)sulfanylbenzoyl]amino]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 70948153
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11392503
tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 157152097) is tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is CC(=O)NCC(=O)C1(C)COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ALJKVAQOLOSZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-10(18)16-8-11(19)15(7)9-21-14(5,6)17(15)12(20)22-13(2,3)4/h8-9H2,1-7H3,(H,16,18).
What are the key properties of tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 157152097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).