(2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate

C11H11ClN2O4 — CID 2118289

IUPAC(2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
SMILESNC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O4/c12-8-3-1-7(2-4-8)11(17)14-5-10(16)18-6-9(13)15/h1-4H,5-6H2,(H2,13,15)(H,14,17)
InChIKeyKJVSSHFTAKRZCO-UHFFFAOYSA-N
MW270.67 g/mol
LogP0.10
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate

(2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 2118289) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID2118289
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
SMILESNC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O4/c12-8-3-1-7(2-4-8)11(17)14-5-10(16)18-6-9(13)15/h1-4H,5-6H2,(H2,13,15)(H,14,17)
InChIKeyKJVSSHFTAKRZCO-UHFFFAOYSA-N
XLogP0.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate (CID 2118289) is (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate is NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is KJVSSHFTAKRZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-8-3-1-7(2-4-8)11(17)14-5-10(16)18-6-9(13)15/h1-4H,5-6H2,(H2,13,15)(H,14,17).
What are the key properties of (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate?
(2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 270.67 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).