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Chemical ID: 7086876

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4CCCC4C(=O)O

Chemical ID:

7086876

Name [?]:

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

SMILES [?]:

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4CCCC4C(=O)O

InChi [?]:

InChI=1/C21H21NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-19H,5,10-12H2,(H,22,25)(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,9,2,10,21,6,8,3,11,22,20,14,5,7,4,12,23,13,19,24,16,18,25,26,17,15/E:(1,2)(3,4)(6,7)(8,9)(13,14)(15,16)(23,24)/rA:26cCCCCCCCCCCCCCCOCONCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s19s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁NO₄
All Atoms:	47
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	11.1167
Area:	569.468
Solvation:	-3.11999
Coulombic:	-62.4865

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	351.396
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.11
LogP (Chemaxon):	3.79

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value