(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate

C7H8N2O5 — CID 59502327

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
SMILESO=CNCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H8N2O5/c10-4-8-3-7(13)14-9-5(11)1-2-6(9)12/h4H,1-3H2,(H,8,10)
InChIKeyIRDDTBYIMIGMRR-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.66
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate

(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate (PubChem CID 59502327) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
PubChem CID59502327
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
SMILESO=CNCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H8N2O5/c10-4-8-3-7(13)14-9-5(11)1-2-6(9)12/h4H,1-3H2,(H,8,10)
InChIKeyIRDDTBYIMIGMRR-UHFFFAOYSA-N
XLogP-1.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
CID 141275620
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
CID 144956392
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(8-formamidooctanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 135199706
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
CID 102050473
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
CID 139256325

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate (CID 59502327) is (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate is O=CNCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate?
The InChIKey is IRDDTBYIMIGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c10-4-8-3-7(13)14-9-5(11)1-2-6(9)12/h4H,1-3H2,(H,8,10).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate?
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate has a molecular weight of 200.15 g/mol, XLogP of -1.66, 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-formamidoacetate is sourced from PubChem (CID 59502327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).