2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid

C15H17N3O8 — CID 134451512

IUPAC2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H17N3O8/c19-10-1-2-11(20)17(10)8-7-16(9-14(23)24)6-5-15(25)26-18-12(21)3-4-13(18)22/h1-2H,3-9H2,(H,23,24)
InChIKeyNSNZNZRNOAQOTM-UHFFFAOYSA-N
MW367.31 g/mol
LogP-1.70
Rot. Bonds9

About 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid

2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid (PubChem CID 134451512) has the molecular formula C15H17N3O8 and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
PubChem CID134451512
Molecular FormulaC15H17N3O8
Molecular Weight367.31 g/mol
Exact Mass367.10
IUPAC Name2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H17N3O8/c19-10-1-2-11(20)17(10)8-7-16(9-14(23)24)6-5-15(25)26-18-12(21)3-4-13(18)22/h1-2H,3-9H2,(H,23,24)
InChIKeyNSNZNZRNOAQOTM-UHFFFAOYSA-N
XLogP-1.70
TPSA141.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid (CID 134451512) is 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid is O=C(O)CN(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
The InChIKey is NSNZNZRNOAQOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O8/c19-10-1-2-11(20)17(10)8-7-16(9-14(23)24)6-5-15(25)26-18-12(21)3-4-13(18)22/h1-2H,3-9H2,(H,23,24).
What are the key properties of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid has a molecular weight of 367.31 g/mol, XLogP of -1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 134451512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).