Chemical ID: 4195998

C1C2CC3CC1CC(C2)(C3)NC(=O)NCC(=O)O
Chemical ID:
4195998
Name [?]:
2-(1-adamantylcarbamoylamino)acetic acid
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)NC(=O)NCC(=O)O
InChi [?]:
InChI=1/C13H20N2O3/c16-11(17)7-14-12(18)15-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,16,17)(H2,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,7,10,15,2,6,4,16,12,8,14,11,17,18,13/E:(1,2,3)(4,5,6)(8,9,10)(16,17)/rA:18nCCCCCCCCCCNCONCCOO/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;s11;d12;s12;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.18382
Area:414.254
Solvation:-2.17253
Coulombic:-61.7441
Bond Count [?]
All:20
Single:18
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.31
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.61
LogP (Chemaxon):0.45

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Descriptor Annotations

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