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Chemical ID: 4979825
Chemical ID:
4979825
Name [?]:
1-amino-2-isopropyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CC(C)C1CCCC1(C(=O)O)N
InChi [?]:
InChI=1/C9H17NO2/c1-6(2)7-4-3-5-9(7,10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,6,5,7,2,4,9,8,12,10,11/E:(1,2)(11,12)/rA:12cCCCCCCCCCOON/rB:s1;s2;s2;s4;s5;s6;s4s7;s8;d9;s9;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.34397 |
Area: | 319.789 |
Solvation: | -1.65076 |
Coulombic: | -40.7575 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.96 |
LogP (Chemaxon): | -1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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