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Chemical ID: 3964551
Chemical ID:
3964551
Name [?]:
1-aminocyclopentane-1,3-dicarboxylic acid
SMILES [?]:
C1CC(CC1C(=O)O)(C(=O)O)N
InChi [?]:
InChI=1/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,6,9,3,12,7,8,10,11/E:(9,10)(11,12)/rA:12cCCCCCCOOCOON/rB:s1;s2;s3;s1s4;s5;d6;s6;s3;d9;s9;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11NO4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.49956 |
Area: | 326.584 |
Solvation: | -2.66505 |
Coulombic: | -64.7739 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 173.167 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -3.29 |
LogP (Chemaxon): | -2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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