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Chemical ID: 4732770
Chemical ID:
4732770
Name [?]:
methyl 2-ethoxycarbonylamino-3-methyl-butanoate
SMILES [?]:
CCOC(=O)NC(C(C)C)C(=O)OC
InChi [?]:
InChI=1/C9H17NO4/c1-5-14-9(12)10-7(6(2)3)8(11)13-4/h6-7H,5H2,1-4H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,9,10,14,2,8,7,11,4,6,12,5,13,3/E:(2,3)/rA:14cCCOCONCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s7;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.58154 |
Area: | 389.089 |
Solvation: | -2.14568 |
Coulombic: | -53.128 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 203.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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