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Chemical ID: 6681248
Chemical ID:
6681248
Name [?]:
2-(methyl-tert-butoxycarbonyl-amino)propanoic acid
SMILES [?]:
CC(C(=O)O)N(C)C(=O)OC(C)(C)C
InChi [?]:
InChI=1/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,7,2,3,8,11,6,4,5,9,10/E:(2,3,4)(11,12)/rA:14cCCCOONCCOOCCCC/rB:s1;s2;d3;s3;s2;s6;s6;d8;s8;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.35857 |
Area: | 380.585 |
Solvation: | -2.15605 |
Coulombic: | -56.4073 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 203.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.23 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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