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Chemical ID: 6679944

CC(C)(C)OC1CC(N(C1)C(=O)OCC2c3ccccc3-c4c2cccc4)CC(=O)O

Chemical ID:

6679944

Name [?]:

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4-tert-butoxy-pyrrolidin-2-yl]acetic acid

SMILES [?]:

CC(C)(C)OC1CC(N(C1)C(=O)OCC2c3ccccc3-c4c2cccc4)CC(=O)O

InChi [?]:

InChI=1/C25H29NO5/c1-25(2,3)31-17-12-16(13-23(27)28)26(14-17)24(29)30-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,16-17,22H,12-15H2,1-3H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,3,4,19,26,18,25,20,27,17,24,7,28,10,14,8,6,21,22,16,23,15,29,11,2,9,30,31,12,13,5/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(18,19)(20,21)(27,28)/rA:31cCCCCOCCCNCCOOCCCCCCCCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s6s9;s9;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s24;d25;d22s26;s8;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉NO₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	12.3809
Area:	652.895
Solvation:	-3.94144
Coulombic:	-65.9903

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	423.501
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.17
LogP (Chemaxon):	3.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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