N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C9H13N3O5 — CID 112551078

IUPACN-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESNC(=O)CONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H13N3O5/c10-6(13)5-17-11-7(14)3-4-12-8(15)1-2-9(12)16/h1-5H2,(H2,10,13)(H,11,14)
InChIKeyUCFHTAVYLVUEAB-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.94
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 112551078) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID112551078
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESNC(=O)CONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H13N3O5/c10-6(13)5-17-11-7(14)3-4-12-8(15)1-2-9(12)16/h1-5H2,(H2,10,13)(H,11,14)
InChIKeyUCFHTAVYLVUEAB-UHFFFAOYSA-N
XLogP-1.94
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341058
N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 112551041
N-ethoxy-3-(2-oxopyrrolidin-1-yl)propanamide
CID 60231654
3-(2,5-dioxopyrrolidin-1-yl)-N-methoxy-N-methylpropanamide
CID 60717319
3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide
CID 60717663
3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide
CID 60717910
2-[3-(2,5-Dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid
CID 63930981
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675767
2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)amino]oxyacetamide
CID 107358047
N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 112550436
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
N-(2-amino-2-oxoethoxy)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 112550502

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 112551078) is N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is NC(=O)CONC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is UCFHTAVYLVUEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c10-6(13)5-17-11-7(14)3-4-12-8(15)1-2-9(12)16/h1-5H2,(H2,10,13)(H,11,14).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 243.22 g/mol, XLogP of -1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 112551078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).