Chemical ID: 6688304

CC(C(=O)O)NC(=O)CCC(C(=O)O)N
Chemical ID:
6688304
Name [?]:
2-amino-5-(1-carboxyethylamino)-5-oxo-pentanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,9,2,11,7,3,12,15,6,8,4,5,13,14/E:(12,13)(14,15)/rA:15cCCCOONCOCCCCOON/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14N2O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:6.62347
Area:414.275
Solvation:-3.7334
Coulombic:-85.0125
Bond Count [?]
All:14
Single:11
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:218.207
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-3.65
LogP (Chemaxon):-4.06

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