Chemical ID: 5187681

C1C2CC3CC1CC(C2)C3(C(=O)NCC(=O)O)N
Chemical ID:
5187681
Name [?]:
2-[(2-amino-2-adamantyl)carbonylamino]acetic acid
SMILES [?]:
C1C2CC3CC1CC(C2)C3(C(=O)NCC(=O)O)N
InChi [?]:
InChI=1/C13H20N2O3/c14-13(12(18)15-6-11(16)17)9-2-7-1-8(4-9)5-10(13)3-7/h7-10H,1-6,14H2,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,9,5,7,14,2,6,4,8,15,11,10,18,13,16,17,12/E:(2,3,4,5)(7,8)(9,10)(16,17)/rA:18nCCCCCCCCCCCONCCOON/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s10;d11;s11;s13;s14;d15;s15;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.74512
Area:402.882
Solvation:-2.32693
Coulombic:-61.1678
Bond Count [?]
All:20
Single:18
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.31
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.5
LogP (Chemaxon):-2.73

Name Annotations

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Descriptor Annotations

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