Chemical ID: 6532416

CCOC(=O)C(CC(C)C)NC(=O)C
Chemical ID:
6532416
Name [?]:
ethyl 2-acetamido-4-methyl-pentanoate
SMILES [?]:
CCOC(=O)C(CC(C)C)NC(=O)C
InChi [?]:
InChI=1/C10H19NO3/c1-5-14-10(13)9(6-7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,10,14,2,7,8,12,6,4,11,13,5,3/E:(2,3)/rA:14cCCOCOCCCCCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s6;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.91599
Area:396.943
Solvation:-3.00759
Coulombic:-38.6091
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:201.263
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):0.86

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Descriptor Annotations

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