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Chemical ID: 5788584
Chemical ID:
5788584
Name [?]:
2-[1-(2-aminopropanoyl)pyrrolidin-2-yl]carbonylaminoacetic acid
SMILES [?]:
CC(C(=O)N1CCCC1C(=O)NCC(=O)O)N
InChi [?]:
InChI=1/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,13,2,9,14,10,3,17,12,5,15,16,11,4/E:(14,15)/rA:17cCCCONCCCCCONCCOON/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;s12;s13;d14;s14;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17N3O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.81323 |
Area: | 425.289 |
Solvation: | -4.819 |
Coulombic: | -74.1207 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 243.26 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | -1.56 |
LogP (Chemaxon): | -5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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