(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate

C14H20N4O7S — CID 138700216

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
SMILESCCSCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N4O7S/c1-2-26-8-11(21)16-6-9(19)15-5-10(20)17-7-14(24)25-18-12(22)3-4-13(18)23/h2-8H2,1H3,(H,15,19)(H,16,21)(H,17,20)
InChIKeyOSWAYVUBKQWSOO-UHFFFAOYSA-N
MW388.40 g/mol
LogP-2.30
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 138700216) has the molecular formula C14H20N4O7S and a molecular weight of 388.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
PubChem CID138700216
Molecular FormulaC14H20N4O7S
Molecular Weight388.40 g/mol
Exact Mass388.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
SMILESCCSCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N4O7S/c1-2-26-8-11(21)16-6-9(19)15-5-10(20)17-7-14(24)25-18-12(22)3-4-13(18)23/h2-8H2,1H3,(H,15,19)(H,16,21)(H,17,20)
InChIKeyOSWAYVUBKQWSOO-UHFFFAOYSA-N
XLogP-2.30
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
CID 144985124
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
CID 89272011
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
CID 161498106
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[(5-methylcyclohexa-1,3-dien-1-yl)-diphenylmethyl]disulfanyl]acetyl]amino]acetyl]amino]acetate
CID 143638608
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
CID 102050473

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate (CID 138700216) is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate is CCSCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate?
The InChIKey is OSWAYVUBKQWSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O7S/c1-2-26-8-11(21)16-6-9(19)15-5-10(20)17-7-14(24)25-18-12(22)3-4-13(18)23/h2-8H2,1H3,(H,15,19)(H,16,21)(H,17,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 388.40 g/mol, XLogP of -2.30, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 138700216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).