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

C8H10N2O5 — CID 54269232

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate
SMILESCC(NC=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H10N2O5/c1-5(9-4-11)8(14)15-10-6(12)2-3-7(10)13/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyGOVPVLBKVSRYFX-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.27
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate (PubChem CID 54269232) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate
PubChem CID54269232
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate
SMILESCC(NC=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H10N2O5/c1-5(9-4-11)8(14)15-10-6(12)2-3-7(10)13/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyGOVPVLBKVSRYFX-UHFFFAOYSA-N
XLogP-1.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.27
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

Boc-Ala-OSu
CID 11011585
Succinimido (S)-2-((tert-butoxycarbonyl)amino)propionate
CID 100126
N-[(1,1-Dimethylethoxy)carbonyl]-D-alanine 2,5-dioxo-1-pyrrolidinyl ester
CID 11580086
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 129213637
(2,5-Dioxopyrrolidin-1-yl) 2-acetamido-3-methyl-3-sulfanylbutanoate
CID 101506533
(2,5-dioxopyrrolidin-1-yl) (2S)-4-[methoxy(methyl)amino]-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 25138919
(2,5-Dioxopyrrolidin-1-yl) 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 60163654
(2,5-Dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 60165138
(2,5-dioxopyrrolidin-1-yl) (2R)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 71623421
Tfa-DL-Ala-DL-Ala-Gly-OSu
CID 101718012
Tfa-Ala-Ala-Gly-OSu
CID 102404163
(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate
CID 10035669

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate (CID 54269232) is (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate is CC(NC=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate?
The InChIKey is GOVPVLBKVSRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-5(9-4-11)8(14)15-10-6(12)2-3-7(10)13/h4-5H,2-3H2,1H3,(H,9,11).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate?
(2,5-dioxopyrrolidin-1-yl) 2-formamidopropanoate has a molecular weight of 214.18 g/mol, XLogP of -1.27, 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-formamidopropanoate is sourced from PubChem (CID 54269232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).