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

C11H11N3O7 — CID 14095624

IUPAC2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESN#CCC(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=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)
InChIKeyNNCHFGHPQJALIE-UHFFFAOYSA-N
MW297.22 g/mol
LogP-1.72
Rot. Bonds4

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 Name2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID14095624
Molecular FormulaC11H11N3O7
Molecular Weight297.22 g/mol
Exact Mass297.06
IUPAC Name2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESN#CCC(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=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)
InChIKeyNNCHFGHPQJALIE-UHFFFAOYSA-N
XLogP-1.72
TPSA146.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).