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Chemical ID: 7970845
Chemical ID:
7970845
Name [?]:
4-(3-ethoxypropylamino)-4-oxo-butanoic acid
SMILES [?]:
CCOCCCNC(=O)CCC(=O)O
InChi [?]:
InChI=1/C9H17NO4/c1-2-14-7-3-6-10-8(11)4-5-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,11,6,4,8,12,7,9,13,14,3/E:(12,13)/rA:14nCCOCCCNCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s12;/rC:-.0187,1.5258,.0104;.0021,-.0041,.002;.6709,-.4649,-1.1737;.6576,-1.893,-1.1236;1.3621,-2.4533,-2.3607;1.3478,-3.9823,-2.307;2.0225,-4.5189,-3.4915;2.1312,-5.8518,-3.6593;1.6704,-6.607,-2.8296;2.8251,-6.4037,-4.8778;2.8108,-7.9327,-4.8241;3.5048,-8.4847,-6.0426;3.9638,-7.7323,-6.8692;3.6131,-9.8121,-6.2097;
Chemical Details
Atom Count
Formula: | C9H17NO4 |
All Atoms: | 31 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53553 |
Area: | 424.197 |
Solvation: | -4.06939 |
Coulombic: | -52.3809 |
Bond Count [?]
All: | 30 |
Single: | 28 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 203.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.33 |
LogP (Chemaxon): | -0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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