2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid

C6H8N2O4 — CID 3364669

IUPAC2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid
SMILESNC1CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)
InChIKeyDXYLVSIXCGPUHP-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.84
Rot. Bonds2

About 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid

2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid (PubChem CID 3364669) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid
PubChem CID3364669
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid
SMILESNC1CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)
InChIKeyDXYLVSIXCGPUHP-UHFFFAOYSA-N
XLogP-1.84
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Amino-2-oxo-1-pyrrolidineacetic acid
CID 11579172
Asn-Gly
CID 9899050
L-Alanine, N-L-asparaginyl-
CID 9942455
Methyl 2-((2,5-dioxopyrrolidin-3-yl)amino)acetate
CID 43637687
Glycyl-asparaginyl-glycine
CID 3082443
3-Amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid
CID 54595575
Sodium 2-((5-oxopyrrolidin-3-yl)amino)acetate
CID 137951720
Glycine, N-(1-methyl-2,5-dioxo-3-pyrrolidinyl)-, methyl ester
CID 43635919
Gly-Gly-Asn-Gly-Gly
CID 87173957
4-Amino-pyrrolidonoic acid
CID 129813583
2-[(5-Oxopyrrolidin-3-yl)amino]acetic acid
CID 54371871
Asn-Gly-Gly
CID 87058072

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid (CID 3364669) is 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid is NC1CC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid?
The InChIKey is DXYLVSIXCGPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11).
What are the key properties of 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid?
2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid has a molecular weight of 172.14 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 3364669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).