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Chemical ID: 7086770
Chemical ID:
7086770
Name [?]:
3-cyclopropyl-2-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
InChi [?]:
InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,10,11,9,14,6,2,8,15,16,7,5/E:(1,2,3)(4,5)(13,14)/rA:16cCCCCOCONCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s11s12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO4 |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.35258 |
Area: | 428.622 |
Solvation: | -2.36298 |
Coulombic: | -60.7203 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 229.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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