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Chemical ID: 4259069

Chemical ID:

4259069

Name [?]:

2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

SMILES [?]:

CC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3

InChi [?]:

InChI=1/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,15,22,14,21,16,23,13,20,10,2,17,18,12,19,11,3,7,6,4,5,8,9/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)(20,21)/rA:23cCCCOONCOOCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇NO₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3777
Area:	522.157
Solvation:	-2.67618
Coulombic:	-63.161

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	311.332
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.07
LogP (Chemaxon):	3.2

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