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Chemical ID: 6485555
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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