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Chemical ID: 4195998
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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