Chemical ID: 5788367

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)N)C(=O)O
Chemical ID:
5788367
Name [?]:
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)N)C(=O)O
InChi [?]:
InChI=1/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,14,5,7,4,12,13,19,21,24,16,23,18,22,25,26,17,15/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(23,24)/rA:26cCCCCCCCCCCCCCCOCONCCCONCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;d21;s21;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.62723
Area:567.472
Solvation:-4.55957
Coulombic:-85.3909
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.357
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.45
LogP (Chemaxon):1.72

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