ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7432693

Chemical ID:

7432693

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C11H20N2O4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6,12H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,4,16,11,9,10,12,13,6,2,17,8,14,7,15,5/E:(1,2,3)/rA:17cCCCCOCONCCCCCOOCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₂₀N₂O₄
All Atoms:	37
Heavy Atoms:	17
Chiral Atoms:	2

ZAP Information [?]

Total:	7.47238
Area:	424.107
Solvation:	-3.1303
Coulombic:	-59.3834

Bond Count [?]

All:	17
Single:	15
Double:	2
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	244.288
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.54
LogP (Chemaxon):	-0.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value