(2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate

C14H18N4O7 — CID 166854610

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
SMILESO=C(NCCC(=O)ON1C(=O)CCC1O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H18N4O7/c19-9-1-2-10(20)17(9)8-7-16-14(24)15-6-5-13(23)25-18-11(21)3-4-12(18)22/h1-2,11,21H,3-8H2,(H2,15,16,24)
InChIKeyQJZMCPRTDXOYPP-UHFFFAOYSA-N
MW354.32 g/mol
LogP-2.00
Rot. Bonds7

About (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate (PubChem CID 166854610) has the molecular formula C14H18N4O7 and a molecular weight of 354.32 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
PubChem CID166854610
Molecular FormulaC14H18N4O7
Molecular Weight354.32 g/mol
Exact Mass354.12
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
SMILESO=C(NCCC(=O)ON1C(=O)CCC1O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H18N4O7/c19-9-1-2-10(20)17(9)8-7-16-14(24)15-6-5-13(23)25-18-11(21)3-4-12(18)22/h1-2,11,21H,3-8H2,(H2,15,16,24)
InChIKeyQJZMCPRTDXOYPP-UHFFFAOYSA-N
XLogP-2.00
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
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-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate (CID 166854610) is (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate is O=C(NCCC(=O)ON1C(=O)CCC1O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
The InChIKey is QJZMCPRTDXOYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O7/c19-9-1-2-10(20)17(9)8-7-16-14(24)15-6-5-13(23)25-18-11(21)3-4-12(18)22/h1-2,11,21H,3-8H2,(H2,15,16,24).
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate has a molecular weight of 354.32 g/mol, XLogP of -2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 166854610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).