2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid

C12H22N2O5 — CID 123152346

IUPAC2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(C(N)C(=O)O)OC1(C)C
InChIInChI=1S/C12H22N2O5/c1-11(2,3)19-10(17)14-6-7(8(13)9(15)16)18-12(14,4)5/h7-8H,6,13H2,1-5H3,(H,15,16)
InChIKeySOQFEEOTQLCVIM-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid

2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 123152346) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
PubChem CID123152346
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(C(N)C(=O)O)OC1(C)C
InChIInChI=1S/C12H22N2O5/c1-11(2,3)19-10(17)14-6-7(8(13)9(15)16)18-12(14,4)5/h7-8H,6,13H2,1-5H3,(H,15,16)
InChIKeySOQFEEOTQLCVIM-UHFFFAOYSA-N
XLogP0.77
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid (CID 123152346) is 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid is CC(C)(C)OC(=O)N1CC(C(N)C(=O)O)OC1(C)C.
What is the InChIKey of 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is SOQFEEOTQLCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(2,3)19-10(17)14-6-7(8(13)9(15)16)18-12(14,4)5/h7-8H,6,13H2,1-5H3,(H,15,16).
What are the key properties of 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 123152346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).