Chemical ID: 4942309

CCCCC(C(=O)O)NC(=O)CC
Chemical ID:
4942309
Name [?]:
2-propanoylaminohexanoic acid
SMILES [?]:
CCCCC(C(=O)O)NC(=O)CC
InChi [?]:
InChI=1/C9H17NO3/c1-3-5-6-7(9(12)13)10-8(11)4-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,3,4,5,10,6,9,11,7,8/E:(12,13)/rA:13cCCCCCCOONCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s5;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.0317
Area:387.423
Solvation:-2.65387
Coulombic:-47.5135
Bond Count [?]
All:12
Single:10
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:187.236
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.37
LogP (Chemaxon):1.18

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Descriptor Annotations

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