(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate

C14H18N4O7 — CID 147491087

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate
SMILESO=C(NCCC(=O)ON1C(=O)CCC1=O)NCCN1C(=O)C=CC1O
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/h1-2,9,19H,3-8H2,(H2,15,16,24)
InChIKeyFFNPCCKCUWIAQV-UHFFFAOYSA-N
MW354.32 g/mol
LogP-2.00
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate (PubChem CID 147491087) has the molecular formula C14H18N4O7 and a molecular weight of 354.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate
PubChem CID147491087
Molecular FormulaC14H18N4O7
Molecular Weight354.32 g/mol
Exact Mass354.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate
SMILESO=C(NCCC(=O)ON1C(=O)CCC1=O)NCCN1C(=O)C=CC1O
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/h1-2,9,19H,3-8H2,(H2,15,16,24)
InChIKeyFFNPCCKCUWIAQV-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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Related Compounds

(2,5-Dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
CID 134451502
(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 134546603
(2,5-dioxopyrrolidin-1-yl) 3-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]propanoate
CID 144229425
1-[3-(2,5-Dioxopyrrolidin-1-yl)oxy-3-hydroxypropyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethyl]urea
CID 166716056
(2-Hydroxy-5-oxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
CID 166854610

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate (CID 147491087) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate is O=C(NCCC(=O)ON1C(=O)CCC1=O)NCCN1C(=O)C=CC1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate?
The InChIKey is FFNPCCKCUWIAQV-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/h1-2,9,19H,3-8H2,(H2,15,16,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-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 (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 147491087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).