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Chemical ID: 6691052
Chemical ID:
6691052
Name [?]:
2-methyl-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
SMILES [?]:
CC1(CCCN1C(=O)OC(C)(C)C)C(=O)O
InChi [?]:
InChI=1/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:11,12,13,1,4,3,5,14,7,10,2,6,15,16,8,9/E:(1,2,3)(13,14)/rA:16cCCCCCNCOOCCCCCOO/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;s9;s10;s10;s10;s2;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.42709 |
Area: | 390.612 |
Solvation: | -2.3382 |
Coulombic: | -56.4868 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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