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Chemical ID: 5039182
Chemical ID:
5039182
Name [?]:
1-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
SMILES [?]:
CC(C(=O)NC1(CCCC1)C(=O)O)N
InChi [?]:
InChI=1/C9H16N2O3/c1-6(10)7(12)11-9(8(13)14)4-2-3-5-9/h6H,2-5,10H2,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,2,3,11,6,14,5,4,12,13/E:(2,3)(4,5)(13,14)/rA:14cCCCONCCCCCCOON/rB:s1;s2;d3;s3;s5;s6;s7;s8;s6s9;s6;d11;s11;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.78949 |
Area: | 358.821 |
Solvation: | -3.18103 |
Coulombic: | -59.3856 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.47 |
LogP (Chemaxon): | -3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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