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Chemical ID: 5048446
Chemical ID:
5048446
Name [?]:
1-(2-amino-3-hydroxy-propanoyl)aminocyclopentane-1-carboxylic acid
SMILES [?]:
C1CCC(C1)(C(=O)O)NC(=O)C(CO)N
InChi [?]:
InChI=1/C9H16N2O4/c10-6(5-12)7(13)11-9(8(14)15)3-1-2-4-9/h6,12H,1-5,10H2,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,13,12,10,6,4,15,9,14,11,7,8/E:(1,2)(3,4)(14,15)/rA:15cCCCCCCOONCOCCON/rB:s1;s2;s3;s1s4;s4;d6;s6;s4;s9;d10;s10;s12;s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.50138 |
Area: | 378.812 |
Solvation: | -3.96891 |
Coulombic: | -76.2048 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 216.234 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -1.18 |
LogP (Chemaxon): | -3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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