Chemical ID: 6510635

CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C
Chemical ID:
6510635
Name [?]:
3-methyl-2-tert-butoxycarbonylamino-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,14,15,16,2,3,5,6,10,13,9,7,8,11,12/E:(3,4,5)(13,14)/rA:16cCCCCCCOONCOOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H21NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:8.44184
Area:427.502
Solvation:-2.24572
Coulombic:-61.3278
Bond Count [?]
All:15
Single:13
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:231.289
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):2.02

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Descriptor Annotations

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