2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid

C14H15N3O6 — CID 146425686

IUPAC2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H15N3O6/c18-10-1-2-11(19)16(10)7-5-15(9-14(22)23)6-8-17-12(20)3-4-13(17)21/h1-4H,5-9H2,(H,22,23)
InChIKeyPSTLMHSFLGLNSF-UHFFFAOYSA-N
MW321.29 g/mol
LogP-1.78
Rot. Bonds8

About 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid

2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid (PubChem CID 146425686) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
PubChem CID146425686
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H15N3O6/c18-10-1-2-11(19)16(10)7-5-15(9-14(22)23)6-8-17-12(20)3-4-13(17)21/h1-4H,5-9H2,(H,22,23)
InChIKeyPSTLMHSFLGLNSF-UHFFFAOYSA-N
XLogP-1.78
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CID 319935
2-(2,5-Dioxopyrrol-1-yl)acetate
CID 6990704
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(2,5-dioxopyrrol-1-yl)acetic acid
CID 17857417
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
Mal-amido-(CH2COOH)2
CID 20740611
2-[[2-(2,5-Dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 43635891
2-[2,5-Dioxo-1-(2-oxoethyl)pyrrol-1-ium-1-yl]acetic acid
CID 53769198
2-[Di(prop-2-enoyl)amino]acetic acid
CID 53861208
2-(2,5-Dioxopyrrol-1-yl)ethyl-ethylcarbamic acid
CID 57112487

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid (CID 146425686) is 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid is O=C(O)CN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
The InChIKey is PSTLMHSFLGLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6/c18-10-1-2-11(19)16(10)7-5-15(9-14(22)23)6-8-17-12(20)3-4-13(17)21/h1-4H,5-9H2,(H,22,23).
What are the key properties of 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid?
2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid has a molecular weight of 321.29 g/mol, XLogP of -1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 146425686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).