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Chemical ID: 4928614
Chemical ID:
4928614
Name [?]:
methyl 3-(cyclopropyl-(2-methoxycarbonylethyl)amino)propanoate
SMILES [?]:
COC(=O)CCN(CCC(=O)OC)C1CC1
InChi [?]:
InChI=1/C11H19NO4/c1-15-10(13)5-7-12(9-3-4-9)8-6-11(14)16-2/h9H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,15,16,5,9,6,8,14,3,10,7,4,11,2,12/E:(1,2)(3,4)(5,6)(7,8)(10,11)(13,14)(15,16)/rA:16nCOCOCCNCCCOOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s7;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11701 |
Area: | 448.214 |
Solvation: | -3.08835 |
Coulombic: | -40.0956 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 229.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.33 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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