Chemical ID: 3964551

C1CC(CC1C(=O)O)(C(=O)O)N
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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