Chemical ID: 5281827

CC(C(=O)O)NC(=O)NCC1CCCO1
Chemical ID:
5281827
Name [?]:
2-(tetrahydrofuran-2-ylmethylcarbamoylamino)propanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)NCC1CCCO1
InChi [?]:
InChI=1/C9H16N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,10,2,11,3,7,9,6,4,5,8,15/E:(12,13)/rA:15cCCCOONCONCCCCCO/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:6.56064
Area:407.803
Solvation:-3.63444
Coulombic:-68.9656
Bond Count [?]
All:15
Single:13
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:216.234
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.39
LogP (Chemaxon):-0.5

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