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Chemical ID: 6419984
Chemical ID:
6419984
Name [?]:
1-(2-aminoacetyl)aminocyclopentane-1-carboxylic acid
SMILES [?]:
C1CCC(C1)(C(=O)O)NC(=O)CN
InChi [?]:
InChI=1/C8H14N2O3/c9-5-6(11)10-8(7(12)13)3-1-2-4-8/h1-5,9H2,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,12,10,6,4,13,9,11,7,8/E:(1,2)(3,4)(12,13)/rA:13nCCCCCCOONCOCN/rB:s1;s2;s3;s1s4;s4;d6;s6;s4;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N2O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.1776 |
Area: | 340.307 |
Solvation: | -3.33007 |
Coulombic: | -58.7587 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 186.208 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -1.0 |
LogP (Chemaxon): | -3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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