Chemical ID: 3967718

C1CC(N(C1)C(=O)CCC(=O)O)C(=O)O
Chemical ID:
3967718
Name [?]:
1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
C1CC(N(C1)C(=O)CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,3,6,10,13,4,7,11,12,14,15/E:(12,13)(14,15)/rA:15cCCCNCCOCCCOOCOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.64552
Area:386.634
Solvation:-4.02034
Coulombic:-66.3469
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:215.203
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.79
LogP (Chemaxon):-0.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue