Chemical ID: 5236039

CCC(C(=O)NC(CO)C(=O)O)N
Chemical ID:
5236039
Name [?]:
2-(2-aminobutanoylamino)-3-hydroxy-propanoic acid
SMILES [?]:
CCC(C(=O)NC(CO)C(=O)O)N
InChi [?]:
InChI=1/C7H14N2O4/c1-2-4(8)6(11)9-5(3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,7,4,10,13,6,9,5,11,12/E:(12,13)/rA:13cCCCCONCCOCOON/rB:s1;s2;s3;d4;s4;s6;s7;s8;s7;d10;s10;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14N2O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:4.73087
Area:363.496
Solvation:-4.35653
Coulombic:-75.8284
Bond Count [?]
All:12
Single:10
Double:2
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:190.197
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-1.73
LogP (Chemaxon):-4.0

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue