2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid

C9H15NO5 — CID 77313305

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1OCCC1C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6(7(11)12)4-5-14-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyFQNQHKBAZFREIU-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.01
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid (PubChem CID 77313305) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid
PubChem CID77313305
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1OCCC1C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6(7(11)12)4-5-14-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyFQNQHKBAZFREIU-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid (CID 77313305) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1OCCC1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid?
The InChIKey is FQNQHKBAZFREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6(7(11)12)4-5-14-10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 77313305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).