3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

C8H11NO4 — CID 115065255

IUPAC3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCC1(C(=O)O)CN(C2CC2)C(=O)O1
InChIInChI=1S/C8H11NO4/c1-8(6(10)11)4-9(5-2-3-5)7(12)13-8/h5H,2-4H2,1H3,(H,10,11)
InChIKeyXFMJKFLZBUPCOB-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.44
Rot. Bonds2

About 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 115065255) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID115065255
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCC1(C(=O)O)CN(C2CC2)C(=O)O1
InChIInChI=1S/C8H11NO4/c1-8(6(10)11)4-9(5-2-3-5)7(12)13-8/h5H,2-4H2,1H3,(H,10,11)
InChIKeyXFMJKFLZBUPCOB-UHFFFAOYSA-N
XLogP0.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 115065255) is 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is CC1(C(=O)O)CN(C2CC2)C(=O)O1.
What is the InChIKey of 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is XFMJKFLZBUPCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-8(6(10)11)4-9(5-2-3-5)7(12)13-8/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 115065255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).