Chemical ID: 6485555

CC(C)CC(C(=O)OC)NC(=O)CC1(CCCC1)CC(=O)O
Chemical ID:
6485555
Name [?]:
2-[1-[(1-methoxycarbonyl-3-methyl-butyl)carbamoylmethyl]cyclopentyl]acetic acid
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)CC1(CCCC1)CC(=O)O
InChi [?]:
InChI=1/C16H27NO5/c1-11(2)8-12(15(21)22-3)17-13(18)9-16(10-14(19)20)6-4-5-7-16/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,9,16,17,15,18,4,13,19,2,5,11,20,6,14,10,12,21,22,7,8/E:(1,2)(4,5)(6,7)(19,20)/rA:22cCCCCCCOOCNCOCCCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s15;s16;s14s17;s14;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.8676
Area:530.071
Solvation:-3.38419
Coulombic:-66.2403
Bond Count [?]
All:22
Single:19
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.389
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.01
LogP (Chemaxon):1.76

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