3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

C11H16N2O5 — CID 64888239

IUPAC3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CN1CCCC1=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H16N2O5/c14-8(6-13-4-1-2-9(13)15)12-11(10(16)17)3-5-18-7-11/h1-7H2,(H,12,14)(H,16,17)
InChIKeyNYJIVMKDLLSGQQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.03
Rot. Bonds4

About 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64888239) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64888239
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CN1CCCC1=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H16N2O5/c14-8(6-13-4-1-2-9(13)15)12-11(10(16)17)3-5-18-7-11/h1-7H2,(H,12,14)(H,16,17)
InChIKeyNYJIVMKDLLSGQQ-UHFFFAOYSA-N
XLogP-1.03
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 64888239) is 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is O=C(CN1CCCC1=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is NYJIVMKDLLSGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-8(6-13-4-1-2-9(13)15)12-11(10(16)17)3-5-18-7-11/h1-7H2,(H,12,14)(H,16,17).
What are the key properties of 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).