Chemical ID: 6684410

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC4CCCC4)C(=O)O
Chemical ID:
6684410
Name [?]:
3-cyclopentyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC4CCCC4)C(=O)O
InChi [?]:
InChI=1/C23H25NO4/c25-22(26)21(13-15-7-1-2-8-15)24-23(27)28-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,15,20-21H,1-2,7-8,13-14H2,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:23,24,1,9,2,10,22,25,6,8,3,11,20,14,21,5,7,4,12,13,19,26,16,18,27,28,17,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(18,19)(25,26)/rA:28cCCCCCCCCCCCCCCOCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s21s24;s19;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.3411
Area:614.117
Solvation:-3.01187
Coulombic:-63.9522
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.449
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.3
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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