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

C16H17N3O8 — CID 101481848

IUPAC2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H17N3O8/c20-11-1-2-12(21)18(11)7-5-17(15(24)9-27-10-16(25)26)6-8-19-13(22)3-4-14(19)23/h1-4H,5-10H2,(H,25,26)
InChIKeyTZDYCIQAAQHLQI-UHFFFAOYSA-N
MW379.33 g/mol
LogP-2.23
Rot. Bonds10

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

2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 101481848) has the molecular formula C16H17N3O8 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid
PubChem CID101481848
Molecular FormulaC16H17N3O8
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H17N3O8/c20-11-1-2-12(21)18(11)7-5-17(15(24)9-27-10-16(25)26)6-8-19-13(22)3-4-14(19)23/h1-4H,5-10H2,(H,25,26)
InChIKeyTZDYCIQAAQHLQI-UHFFFAOYSA-N
XLogP-2.23
TPSA141.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid (CID 101481848) is 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is TZDYCIQAAQHLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O8/c20-11-1-2-12(21)18(11)7-5-17(15(24)9-27-10-16(25)26)6-8-19-13(22)3-4-14(19)23/h1-4H,5-10H2,(H,25,26).
What are the key properties of 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 379.33 g/mol, XLogP of -2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 101481848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).