Chemical ID: 3998087

COC(=O)C(CCSC)N
Chemical ID:
3998087
Name [?]:
methyl 2-amino-4-methylsulfanyl-butanoate
SMILES [?]:
COC(=O)C(CCSC)N
InChi [?]:
InChI=1/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,6,7,5,3,10,4,2,8/rA:10cCOCOCCCSCN/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO2S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:6.71399
Area:346.571
Solvation:-1.95028
Coulombic:-32.1893
Bond Count [?]
All:9
Single:8
Double:1
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:163.239
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.63
LogP (Chemaxon):0.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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