Chemical ID: 5202434

CCOC(=O)C(CSC)N
Chemical ID:
5202434
Name [?]:
ethyl 2-amino-3-methylsulfanyl-propanoate
SMILES [?]:
CCOC(=O)C(CSC)N
InChi [?]:
InChI=1/C6H13NO2S/c1-3-9-6(8)5(7)4-10-2/h5H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,7,6,4,10,5,3,8/rA:10cCCOCOCCSCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO2S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:6.70568
Area:344.766
Solvation:-1.91346
Coulombic:-32.1837
Bond Count [?]
All:9
Single:8
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:163.239
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.7
LogP (Chemaxon):0.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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