Chemical ID: 6045666

c1ccc(cc1)COC(C(C(=O)O)N)C(=O)O
Chemical ID:
6045666
Name [?]:
2-amino-3-benzyloxy-butanedioic acid
SMILES [?]:
c1ccc(cc1)COC(C(C(=O)O)N)C(=O)O
InChi [?]:
InChI=1/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,10,9,11,15,14,12,13,16,17,8/E:(2,3)(4,5)(13,14)(15,16)/rA:17cCCCCCCCOCCCOONCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s10;s9;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:5.68977
Area:420.997
Solvation:-4.83517
Coulombic:-74.6377
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.225
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-2.24
LogP (Chemaxon):-2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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