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

C15H17N3O7 — CID 163282820

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate
SMILESC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O7/c1-9(15(24)25-18-13(22)6-7-14(18)23)16-10(19)3-2-8-17-11(20)4-5-12(17)21/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)/t9-/m0/s1
InChIKeyIOALHKDJCNSKSD-VIFPVBQESA-N
MW351.32 g/mol
LogP-1.20
Rot. Bonds7

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

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate (PubChem CID 163282820) has the molecular formula C15H17N3O7 and a molecular weight of 351.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate
PubChem CID163282820
Molecular FormulaC15H17N3O7
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate
SMILESC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O7/c1-9(15(24)25-18-13(22)6-7-14(18)23)16-10(19)3-2-8-17-11(20)4-5-12(17)21/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)/t9-/m0/s1
InChIKeyIOALHKDJCNSKSD-VIFPVBQESA-N
XLogP-1.20
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 3299229
poly(N-isopropylacrylamide-N-n-butylacrylamide-N-acryloxysuccinimide)
CID 3082923
Succinimidyl maleimidopropionate
CID 18546706
Nipam nas
CID 131730183
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 18653285
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 18673374
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 19597164
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535
(2,5-Dioxopyrrolidin-1-yl) 2-(1-ethyl-2,5-dioxopyrrol-1-ium-1-yl)acetate
CID 59237936
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pent-4-ynoate
CID 59248170
2-(2,5-Dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 69647549

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate (CID 163282820) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate is C[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]propanoate?
The InChIKey is IOALHKDJCNSKSD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N3O7/c1-9(15(24)25-18-13(22)6-7-14(18)23)16-10(19)3-2-8-17-11(20)4-5-12(17)21/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)/t9-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoate has a molecular weight of 351.32 g/mol, XLogP of -1.20, 7 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]propanoate is sourced from PubChem (CID 163282820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).