(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate

C12H12N2O5 — CID 102050473

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
SMILESO=C(CNC(=O)C1C=CC=C1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O5/c15-9-5-6-10(16)14(9)19-11(17)7-13-12(18)8-3-1-2-4-8/h1-4,8H,5-7H2,(H,13,18)
InChIKeyIYPLFDWPUNNWEP-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.55
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate (PubChem CID 102050473) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
PubChem CID102050473
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
SMILESO=C(CNC(=O)C1C=CC=C1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O5/c15-9-5-6-10(16)14(9)19-11(17)7-13-12(18)8-3-1-2-4-8/h1-4,8H,5-7H2,(H,13,18)
InChIKeyIYPLFDWPUNNWEP-UHFFFAOYSA-N
XLogP-0.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
CID 89272011
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
CID 101204507
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
(2,5-dioxopyrrolidin-1-yl) 2-[[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 170201566
(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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate (CID 102050473) is (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate is O=C(CNC(=O)C1C=CC=C1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate?
The InChIKey is IYPLFDWPUNNWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-9-5-6-10(16)14(9)19-11(17)7-13-12(18)8-3-1-2-4-8/h1-4,8H,5-7H2,(H,13,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate has a molecular weight of 264.24 g/mol, XLogP of -0.55, 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-(cyclopenta-2,4-diene-1-carbonylamino)acetate is sourced from PubChem (CID 102050473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).