Chemical ID: 7086712

CCC(C)C(CCC(=O)O)NC(=O)OC(C)(C)C
Chemical ID:
7086712
Name [?]:
5-methyl-4-tert-butoxycarbonylamino-heptanoic acid
SMILES [?]:
CCC(C)C(CCC(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C13H25NO4/c1-6-9(2)10(7-8-11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,16,17,18,2,6,7,3,5,8,12,15,11,9,10,13,14/E:(3,4,5)(15,16)/rA:18cCCCCCCCCOONCOOCCCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s5;s11;d12;s12;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO4
All Atoms:43
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:9.6383
Area:483.937
Solvation:-2.46012
Coulombic:-60.3329
Bond Count [?]
All:17
Single:15
Double:2
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:259.342
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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