(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate

C15H24N4O6 — CID 88919145

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate
SMILESCCCC(NC(=O)CCCC(=O)ON1C(=O)CCC1=O)[C@H](N)C(N)=O
InChIInChI=1S/C15H24N4O6/c1-2-4-9(14(16)15(17)24)18-10(20)5-3-6-13(23)25-19-11(21)7-8-12(19)22/h9,14H,2-8,16H2,1H3,(H2,17,24)(H,18,20)/t9?,14-/m0/s1
InChIKeyPXKNNKJPEIMIIU-RJSPSEDBSA-N
MW356.38 g/mol
LogP-1.14
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate (PubChem CID 88919145) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate
PubChem CID88919145
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate
SMILESCCCC(NC(=O)CCCC(=O)ON1C(=O)CCC1=O)[C@H](N)C(N)=O
InChIInChI=1S/C15H24N4O6/c1-2-4-9(14(16)15(17)24)18-10(20)5-3-6-13(23)25-19-11(21)7-8-12(19)22/h9,14H,2-8,16H2,1H3,(H2,17,24)(H,18,20)/t9?,14-/m0/s1
InChIKeyPXKNNKJPEIMIIU-RJSPSEDBSA-N
XLogP-1.14
TPSA161.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-1.14
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) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 170024756
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-6-oxohexanoate
CID 142732287
5-(2,5-dioxopyrrolidin-1-yl)oxy-2-(octadecanoylamino)-5-oxopentanoic acid
CID 170653243
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(octanoylamino)pentanedioate
CID 87094380
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2R)-2-(hexadecanoylamino)pentanedioate
CID 87093561
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2S)-2-[[16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoyl]amino]pentanedioic acid
CID 175137846
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate (CID 88919145) is (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate is CCCC(NC(=O)CCCC(=O)ON1C(=O)CCC1=O)[C@H](N)C(N)=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate?
The InChIKey is PXKNNKJPEIMIIU-RJSPSEDBSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-2-4-9(14(16)15(17)24)18-10(20)5-3-6-13(23)25-19-11(21)7-8-12(19)22/h9,14H,2-8,16H2,1H3,(H2,17,24)(H,18,20)/t9?,14-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate has a molecular weight of 356.38 g/mol, XLogP of -1.14, 10 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) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 88919145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).