Chemical ID: 6681248

CC(C(=O)O)N(C)C(=O)OC(C)(C)C
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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