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Chemical ID: 4752143
Chemical ID:
4752143
Name [?]:
5-indan-2-ylamino-3,3-dimethyl-5-oxo-pentanoic acid
SMILES [?]:
CC(C)(CC(=O)NC1Cc2ccccc2C1)CC(=O)O
InChi [?]:
InChI=1/C16H21NO3/c1-16(2,10-15(19)20)9-14(18)17-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,11,14,9,16,4,17,10,15,8,5,18,2,7,6,19,20/E:(1,2)(3,4)(5,6)(7,8)(11,12)(19,20)/rA:20nCCCCCONCCCCCCCCCCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8s15;s2;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5524 |
Area: | 471.678 |
Solvation: | -3.23955 |
Coulombic: | -46.8408 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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