Chemical ID: 4752143

CC(C)(CC(=O)NC1Cc2ccccc2C1)CC(=O)O
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

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Descriptor Annotations

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