2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid

C8H12N2O4 — CID 115102426

IUPAC2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1C1CCCN1
InChIInChI=1S/C8H12N2O4/c11-7(12)5-4-14-8(13)10(5)6-2-1-3-9-6/h5-6,9H,1-4H2,(H,11,12)
InChIKeyCMKOSOZXJCYLKA-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.40
Rot. Bonds2

About 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid

2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115102426) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID115102426
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1C1CCCN1
InChIInChI=1S/C8H12N2O4/c11-7(12)5-4-14-8(13)10(5)6-2-1-3-9-6/h5-6,9H,1-4H2,(H,11,12)
InChIKeyCMKOSOZXJCYLKA-UHFFFAOYSA-N
XLogP-0.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115006183
4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
CID 115102433
2-oxo-3-(thiolan-3-yl)-1,3-oxazolidine-4-carboxylic acid
CID 115006185
5-oxo-4-(pyrrolidin-2-ylmethyl)morpholine-3-carboxylic acid
CID 115102725
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 130192161
(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one
CID 125477043
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 144592023
2-oxo-3-(2-piperidin-1-ylethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102549
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one;methanol
CID 144592022
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102486

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 115102426) is 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid is O=C(O)C1COC(=O)N1C1CCCN1.
What is the InChIKey of 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is CMKOSOZXJCYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-7(12)5-4-14-8(13)10(5)6-2-1-3-9-6/h5-6,9H,1-4H2,(H,11,12).
What are the key properties of 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid?
2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115102426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).