Chemical ID: 4269645

CC(CCCCCCCNC(=O)C)CC(=O)O
Chemical ID:
4269645
Name [?]:
10-acetamido-3-methyl-decanoic acid
SMILES [?]:
CC(CCCCCCCNC(=O)C)CC(=O)O
InChi [?]:
InChI=1/C13H25NO3/c1-11(10-13(16)17)8-6-4-3-5-7-9-14-12(2)15/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,6,5,7,4,8,3,9,14,2,11,15,10,12,16,17/E:(16,17)/rA:17cCCCCCCCCCNCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s2;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.52769
Area:499.349
Solvation:-2.95604
Coulombic:-46.7305
Bond Count [?]
All:16
Single:14
Double:2
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:243.343
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.11
LogP (Chemaxon):1.9

Name Annotations

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Descriptor Annotations

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