tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate

C11H19N3O6 — CID 143366500

IUPACtert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
SMILESCC(C)(C)OC(N)=O.NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O4.C5H11NO2/c7-3-6(11)12-8-4(9)1-2-5(8)10;1-5(2,3)8-4(6)7/h1-3,7H2;1-3H3,(H2,6,7)
InChIKeyMSLDQXWKDNMKPA-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.57
Rot. Bonds2

About tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate

tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate (PubChem CID 143366500) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate.

Molecular Properties

Compound Nametert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
PubChem CID143366500
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Nametert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
SMILESCC(C)(C)OC(N)=O.NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O4.C5H11NO2/c7-3-6(11)12-8-4(9)1-2-5(8)10;1-5(2,3)8-4(6)7/h1-3,7H2;1-3H3,(H2,6,7)
InChIKeyMSLDQXWKDNMKPA-UHFFFAOYSA-N
XLogP-0.57
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
CID 162050928
1-O-tert-butyl 19-O-(2,5-dioxopyrrolidin-1-yl) nonadecanedioate
CID 133081009
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-methylpentanedioate
CID 166007558
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]acetate
CID 10556782
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate
CID 59709136
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 98540767
tert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 162131935
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonyloxy]propanoate
CID 122671168
(2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate
CID 177234164
1-O-tert-butyl 4-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]propanoyl]oxybutanedioate
CID 122671163

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate?
The IUPAC name of tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate (CID 143366500) is tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate.
What is the SMILES notation for tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate?
The canonical SMILES for tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate is CC(C)(C)OC(N)=O.NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate?
The InChIKey is MSLDQXWKDNMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4.C5H11NO2/c7-3-6(11)12-8-4(9)1-2-5(8)10;1-5(2,3)8-4(6)7/h1-3,7H2;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate?
tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate has a molecular weight of 289.29 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate is sourced from PubChem (CID 143366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).