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Chemical ID: 6049303

Chemical ID:

6049303

Name [?]:

tert-butyl methyl 4-oxopyrrolidine-1,2-dicarboxylate

SMILES [?]:

CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)OC

InChi [?]:

InChI=1/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,4,17,12,9,10,13,14,6,2,8,11,15,7,16,5/E:(1,2,3)/rA:17cCCCCOCONCCOCCCOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s8s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₇NO₅
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	6.7849
Area:	421.725
Solvation:	-3.75822
Coulombic:	-53.5798

Bond Count [?]

All:	17
Single:	14
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	243.256
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	0.4
LogP (Chemaxon):	0.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value