Chemical ID: 4732770

CCOC(=O)NC(C(C)C)C(=O)OC
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

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Descriptor Annotations

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