Chemical ID: 5788784

C1CC(N(C1)C(=O)CN)C(=O)N2CC(CC2C(=O)O)O
Chemical ID:
5788784
Name [?]:
1-[1-(2-aminoacetyl)pyrrolidin-2-yl]carbonyl-4-hydroxy-pyrrolidine-2-carboxylic acid
SMILES [?]:
C1CC(N(C1)C(=O)CN)C(=O)N2CC(CC2C(=O)O)O
InChi [?]:
InChI=1/C12H19N3O5/c13-5-10(17)14-3-1-2-8(14)11(18)15-6-7(16)4-9(15)12(19)20/h7-9,16H,1-6,13H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,15,8,13,14,3,16,6,10,17,9,4,12,20,7,11,18,19/E:(19,20)/rA:20cCCCNCCOCNCONCCCCCOOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s3;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N3O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:3.99501
Area:446.622
Solvation:-7.17055
Coulombic:-84.0074
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.296
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:-2.37
LogP (Chemaxon):-6.38

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