(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate

C18H26N4O7 — CID 163992050

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
SMILESCC[C@H](C(=O)NC)N1CC(CNC(=O)CCC(=O)ON2C(=O)CCC2=O)CC1=O
InChIInChI=1S/C18H26N4O7/c1-3-12(18(28)19-2)21-10-11(8-16(21)26)9-20-13(23)4-7-17(27)29-22-14(24)5-6-15(22)25/h11-12H,3-10H2,1-2H3,(H,19,28)(H,20,23)/t11?,12-/m1/s1
InChIKeyUBMIKMBAFMERSF-PIJUOVFKSA-N
MW410.43 g/mol
LogP-1.14
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate (PubChem CID 163992050) has the molecular formula C18H26N4O7 and a molecular weight of 410.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
PubChem CID163992050
Molecular FormulaC18H26N4O7
Molecular Weight410.43 g/mol
Exact Mass410.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
SMILESCC[C@H](C(=O)NC)N1CC(CNC(=O)CCC(=O)ON2C(=O)CCC2=O)CC1=O
InChIInChI=1S/C18H26N4O7/c1-3-12(18(28)19-2)21-10-11(8-16(21)26)9-20-13(23)4-7-17(27)29-22-14(24)5-6-15(22)25/h11-12H,3-10H2,1-2H3,(H,19,28)(H,20,23)/t11?,12-/m1/s1
InChIKeyUBMIKMBAFMERSF-PIJUOVFKSA-N
XLogP-1.14
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate with MolForge

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Related Compounds

N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
CID 163470900
N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-methylbutanediamide;cyclooctadecane
CID 167542037
N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide
CID 166955858
(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400524
cyclooctadecane;N-methyl-2-[2-oxo-2-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methylamino]ethyl]sulfanylacetamide
CID 163628325
(2S)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide;4-[[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoic acid;oxolane-2,5-dione
CID 161128383
N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
CID 91213723
methyl (2S,3S)-2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]-3-methylpentanoate
CID 88773797
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 134424013

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate (CID 163992050) is (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate is CC[C@H](C(=O)NC)N1CC(CNC(=O)CCC(=O)ON2C(=O)CCC2=O)CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
The InChIKey is UBMIKMBAFMERSF-PIJUOVFKSA-N. The full InChI is InChI=1S/C18H26N4O7/c1-3-12(18(28)19-2)21-10-11(8-16(21)26)9-20-13(23)4-7-17(27)29-22-14(24)5-6-15(22)25/h11-12H,3-10H2,1-2H3,(H,19,28)(H,20,23)/t11?,12-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate has a molecular weight of 410.43 g/mol, XLogP of -1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate is sourced from PubChem (CID 163992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).