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

C9H12N2O6 — CID 141275620

IUPAC2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
SMILESO=C(O)CNCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O6/c12-6-1-2-7(13)11(6)17-9(16)3-4-10-5-8(14)15/h10H,1-5H2,(H,14,15)
InChIKeySLEOKYCMVLZXEG-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.34
Rot. Bonds6

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

2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid (PubChem CID 141275620) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
PubChem CID141275620
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
SMILESO=C(O)CNCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O6/c12-6-1-2-7(13)11(6)17-9(16)3-4-10-5-8(14)15/h10H,1-5H2,(H,14,15)
InChIKeySLEOKYCMVLZXEG-UHFFFAOYSA-N
XLogP-1.34
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
CID 121295380
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078181
(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate
CID 154963897
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(3-bromo-2-oxopropyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 87261762
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
CID 89330987
CID 89330987
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]amino]ethyl-propylamino]acetic acid
CID 118016859

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid?
The IUPAC name of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid (CID 141275620) is 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid is O=C(O)CNCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid?
The InChIKey is SLEOKYCMVLZXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c12-6-1-2-7(13)11(6)17-9(16)3-4-10-5-8(14)15/h10H,1-5H2,(H,14,15).
What are the key properties of 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid?
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid has a molecular weight of 244.20 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 141275620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).