Chemical ID: 6690777

CCC(C)C(C(=O)OC(C)(C)C)N
Chemical ID:
6690777
Name [?]:
tert-butyl 2-amino-3-methyl-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC(C)(C)C)N
InChi [?]:
InChI=1/C10H21NO2/c1-6-7(2)8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,4,10,11,12,2,3,5,6,9,13,7,8/E:(3,4,5)/rA:13cCCCCCCOOCCCCN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s9;s9;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H21NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:8.10925
Area:374.348
Solvation:-1.24946
Coulombic:-32.9115
Bond Count [?]
All:12
Single:11
Double:1
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:187.279
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.19
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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