Chemical ID: 6048000

CC(C)(C)OC(=O)N1CCC(C1)C(=O)O
Chemical ID:
6048000
Name [?]:
1-tert-butoxycarbonylpyrrolidine-3-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)C(=O)O
InChi [?]:
InChI=1/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,6,2,8,14,15,7,5/E:(1,2,3)(12,13)/rA:15cCCCCOCONCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17NO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.3813
Area:394.578
Solvation:-2.48316
Coulombic:-54.7731
Bond Count [?]
All:15
Single:13
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:215.246
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.88
LogP (Chemaxon):0.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue