Chemical ID: 7244026

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)O
Chemical ID:
7244026
Name [?]:
3-(1-adamantylcarbonylamino)propanoic acid
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)O
InChi [?]:
InChI=1/C14H21NO3/c16-12(17)1-2-15-13(18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,14,1,3,5,9,7,10,2,6,4,16,11,8,13,17,18,12/E:(3,4,5)(6,7,8)(9,10,11)(16,17)/rA:18nCCCCCCCCCCCONCCCOO/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;d11;s11;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:39
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.86352
Area:423.708
Solvation:-2.72917
Coulombic:-46.8182
Bond Count [?]
All:20
Single:18
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.21
LogP (Chemaxon):1.46

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