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Chemical ID: 4996050
Chemical ID:
4996050
Name [?]:
4-hydroxy-1-methyl-pyrrolidine-2-carboxylic acid
SMILES [?]:
CN1CC(CC1C(=O)O)O
InChi [?]:
InChI=1/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,3,4,6,7,2,10,8,9/E:(9,10)/rA:10cCNCCCCCOOO/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;s4;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H11NO3 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 4.29688 |
Area: | 285.965 |
Solvation: | -2.85226 |
Coulombic: | -48.203 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 145.156 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.98 |
LogP (Chemaxon): | -3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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