2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C11H11N3O7 — CID 14095624

About 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 14095624) has the molecular formula C11H11N3O7 and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• PubChem CID: 14095624
• Molecular Formula: C11H11N3O7
• Molecular Weight: 297.22 g/mol
• Exact Mass: 297.06
• IUPAC Name: 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• SMILES: N#CCC(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
• InChI: InChI=1S/C11H11N3O7/c12-4-2-7(15)13-6-5-20-14(9(6)17)11(10(18)19)3-1-8(16)21-11/h6H,1-3,5H2,(H,13,15)(H,18,19)
• InChIKey: NNCHFGHPQJALIE-UHFFFAOYSA-N
• XLogP: -1.72
• TPSA: 146.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.22
LogP ≤ 5	-1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The IUPAC name of 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 14095624) is 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

What is the SMILES notation for 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The canonical SMILES for 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is N#CCC(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O.

What is the InChIKey of 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The InChIKey is NNCHFGHPQJALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O7/c12-4-2-7(15)13-6-5-20-14(9(6)17)11(10(18)19)3-1-8(16)21-11/h6H,1-3,5H2,(H,13,15)(H,18,19).

What are the key properties of 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 297.22 g/mol, XLogP of -1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14095624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).