(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate

C9H12N2O7 — CID 21014625

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
SMILESCOCOC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O7/c1-16-5-17-9(15)10-4-8(14)18-11-6(12)2-3-7(11)13/h2-5H2,1H3,(H,10,15)
InChIKeyBRTKRABTKUVRQW-UHFFFAOYSA-N
MW260.20 g/mol
LogP-1.08
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate (PubChem CID 21014625) has the molecular formula C9H12N2O7 and a molecular weight of 260.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
PubChem CID21014625
Molecular FormulaC9H12N2O7
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
SMILESCOCOC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O7/c1-16-5-17-9(15)10-4-8(14)18-11-6(12)2-3-7(11)13/h2-5H2,1H3,(H,10,15)
InChIKeyBRTKRABTKUVRQW-UHFFFAOYSA-N
XLogP-1.08
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(methoxymethyl) propanedioate
CID 159591316
CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] 1-O-(methylcarbamoyloxymethyl) butanedioate
CID 118982470
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(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-(methoxymethoxycarbonylamino)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate (CID 21014625) is (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate is COCOC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate?
The InChIKey is BRTKRABTKUVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O7/c1-16-5-17-9(15)10-4-8(14)18-11-6(12)2-3-7(11)13/h2-5H2,1H3,(H,10,15).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate has a molecular weight of 260.20 g/mol, XLogP of -1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate is sourced from PubChem (CID 21014625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).