2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid

C8H10N2O4 — CID 118448170

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c11-6-1-2-7(12)10(6)4-3-9-5-8(13)14/h1-2,9H,3-5H2,(H,13,14)
InChIKeyXIINLFMDSSFORE-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.41
Rot. Bonds5

About 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid

2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid (PubChem CID 118448170) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid
PubChem CID118448170
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c11-6-1-2-7(12)10(6)4-3-9-5-8(13)14/h1-2,9H,3-5H2,(H,13,14)
InChIKeyXIINLFMDSSFORE-UHFFFAOYSA-N
XLogP-1.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

n-(2-aminoethyl)maleimide, trifluoroacetate salt
CID 16212752
Matraxetan
CID 66893931
2-(2-(Bis(carboxymethyl)amino)ethyl-(2-(2-(2,5-dioxopyrrol-1-yl)ethylamino)-2-oxoethyl)amino)acetic acid
CID 29982814
N-Acryloylglycylglycine
CID 20493959
Maleimide-NOTA
CID 89884074
Maleoylglycine
CID 100915606
N-(2-aminoethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 124091649
2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 156064194
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 172820590
Fumaryldi-glycin
CID 91619288
CID 139064260
CID 139064260
N-acryloylglycylglycine monohydrate
CID 139073716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid (CID 118448170) is 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid is O=C(O)CNCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid?
The InChIKey is XIINLFMDSSFORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6-1-2-7(12)10(6)4-3-9-5-8(13)14/h1-2,9H,3-5H2,(H,13,14).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid?
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid has a molecular weight of 198.18 g/mol, XLogP of -1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]acetic acid is sourced from PubChem (CID 118448170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).