(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate

C8H9ClN2O5 — CID 131842713

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
SMILESO=C(CCl)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9ClN2O5/c9-3-5(12)10-4-8(15)16-11-6(13)1-2-7(11)14/h1-4H2,(H,10,12)
InChIKeyJXZJEFLKZZAHHL-UHFFFAOYSA-N
MW248.62 g/mol
LogP-1.05
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate (PubChem CID 131842713) has the molecular formula C8H9ClN2O5 and a molecular weight of 248.62 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
PubChem CID131842713
Molecular FormulaC8H9ClN2O5
Molecular Weight248.62 g/mol
Exact Mass248.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
SMILESO=C(CCl)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9ClN2O5/c9-3-5(12)10-4-8(15)16-11-6(13)1-2-7(11)14/h1-4H2,(H,10,12)
InChIKeyJXZJEFLKZZAHHL-UHFFFAOYSA-N
XLogP-1.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 20768516
CID 20768516
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
CID 144985124
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
CID 102050473
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
CID 141275620
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
CID 161498106
(2,5-dioxopyrrolidin-1-yl) 2-[[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 170201566

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate (CID 131842713) is (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate is O=C(CCl)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate?
The InChIKey is JXZJEFLKZZAHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O5/c9-3-5(12)10-4-8(15)16-11-6(13)1-2-7(11)14/h1-4H2,(H,10,12).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate has a molecular weight of 248.62 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate is sourced from PubChem (CID 131842713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).