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Chemical ID: 4903511
Chemical ID:
4903511
Name [?]:
methyl 2-pyrrolidin-1-ylcarbonylaminopropanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)N1CCCC1
InChi [?]:
InChI=1/C9H16N2O3/c1-7(8(12)14-2)10-9(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,6,12,13,11,14,2,3,8,7,10,4,9,5/E:(3,4)(5,6)/rA:14cCCCOOCNCONCCCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.32262 |
Area: | 385.113 |
Solvation: | -2.3052 |
Coulombic: | -49.06 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.23 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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