2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid

C15H14N4O8 — CID 155607014

IUPAC2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid
SMILESCN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)O)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C15H14N4O8/c1-16(13(24)6-17-9(20)2-3-10(17)21)19(8-15(26)27)14(25)7-18-11(22)4-5-12(18)23/h2-5H,6-8H2,1H3,(H,26,27)
InChIKeyMZUPHPFQLXQROO-UHFFFAOYSA-N
MW378.30 g/mol
LogP-2.88
Rot. Bonds6

About 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid (PubChem CID 155607014) has the molecular formula C15H14N4O8 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid
PubChem CID155607014
Molecular FormulaC15H14N4O8
Molecular Weight378.30 g/mol
Exact Mass378.08
IUPAC Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid
SMILESCN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)O)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C15H14N4O8/c1-16(13(24)6-17-9(20)2-3-10(17)21)19(8-15(26)27)14(25)7-18-11(22)4-5-12(18)23/h2-5H,6-8H2,1H3,(H,26,27)
InChIKeyMZUPHPFQLXQROO-UHFFFAOYSA-N
XLogP-2.88
TPSA152.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 10036667
2,2'-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)azanediyl)diacetic acid
CID 12968596
2-[2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;1-ethylpyrrole-2,5-dione
CID 19812782
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
CID 19922511
2-[4,7-Bis(carboxymethyl)-10-[2-[(2,5-dioxopyrrol-1-yl)-ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 117970059
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-methylamino]acetic acid
CID 134451540
2-(2,5-Dioxopyrrol-1-yl)acetic acid;ethane
CID 142449834
2-[Bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
CID 146425686
2-[[Carboxymethyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 147909398
3-[[Carboxymethyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propanoic acid
CID 155088917
Tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate
CID 157020834
2-(2,5-Dioxopyrrol-1-yl)acetic acid;methane
CID 159362654

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid?
The IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid (CID 155607014) is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid is CN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)O)C(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid?
The InChIKey is MZUPHPFQLXQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O8/c1-16(13(24)6-17-9(20)2-3-10(17)21)19(8-15(26)27)14(25)7-18-11(22)4-5-12(18)23/h2-5H,6-8H2,1H3,(H,26,27).
What are the key properties of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid?
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid has a molecular weight of 378.30 g/mol, XLogP of -2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-methylamino]amino]acetic acid is sourced from PubChem (CID 155607014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).