(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate

C16H19N3O7 — CID 170072575

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate
SMILESCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H19N3O7/c1-2-10(16(25)26-19-14(23)7-8-15(19)24)17-11(20)4-3-9-18-12(21)5-6-13(18)22/h5-6,10H,2-4,7-9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyVZTMZLGPKDVPDK-JTQLQIEISA-N
MW365.34 g/mol
LogP-0.81
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate (PubChem CID 170072575) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate
PubChem CID170072575
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate
SMILESCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H19N3O7/c1-2-10(16(25)26-19-14(23)7-8-15(19)24)17-11(20)4-3-9-18-12(21)5-6-13(18)22/h5-6,10H,2-4,7-9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyVZTMZLGPKDVPDK-JTQLQIEISA-N
XLogP-0.81
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 5-0.81
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 (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate (CID 170072575) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate is CC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate?
The InChIKey is VZTMZLGPKDVPDK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O7/c1-2-10(16(25)26-19-14(23)7-8-15(19)24)17-11(20)4-3-9-18-12(21)5-6-13(18)22/h5-6,10H,2-4,7-9H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate has a molecular weight of 365.34 g/mol, XLogP of -0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoate is sourced from PubChem (CID 170072575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).