Chemical ID: 5287541

CC1CCC(CC1)NC(=O)NC(C)C(=O)O
Chemical ID:
5287541
Name [?]:
2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
SMILES [?]:
CC1CCC(CC1)NC(=O)NC(C)C(=O)O
InChi [?]:
InChI=1/C11H20N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChi Info:
AuxInfo=1/1/N:1,13,3,7,4,6,2,12,5,14,9,11,8,15,16,10/E:(3,4)(5,6)(14,15)/rA:16cCCCCCCCNCONCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H20N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.47857
Area:424.63
Solvation:-2.13719
Coulombic:-62.5268
Bond Count [?]
All:16
Single:14
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.288
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.59
LogP (Chemaxon):1.18

Name Annotations

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Descriptor Annotations

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