Chemical ID: 6694331

C(CNC(=O)C(CO)N)C(=O)O
Chemical ID:
6694331
Name [?]:
3-(2-amino-3-hydroxy-propanoyl)aminopropanoic acid
SMILES [?]:
C(CNC(=O)C(CO)N)C(=O)O
InChi [?]:
InChI=1/C6H12N2O4/c7-4(3-9)6(12)8-2-1-5(10)11/h4,9H,1-3,7H2,(H,8,12)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,10,4,9,3,8,11,12,5/E:(10,11)/rA:12cCCNCOCCONCOO/rB:s1;s2;s3;d4;s4;s6;s7;s6;s1;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12N2O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:4.49242
Area:361.612
Solvation:-4.54787
Coulombic:-73.7163
Bond Count [?]
All:11
Single:9
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:176.171
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-2.46
LogP (Chemaxon):-5.1

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