Chemical ID: 4097393

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OC
Chemical ID:
4097393
Name [?]:
methyl 3-phenyl-2-tert-butoxycarbonylamino-propanoate
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OC
InChi [?]:
InChI=1/C15H21NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,14,13,15,12,16,10,11,9,17,6,2,8,18,7,19,5/E:(1,2,3)(6,7)(8,9)/rA:20cCCCCOCONCCCCCCCCCOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.49476
Area:491.145
Solvation:-2.78385
Coulombic:-54.0375
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:279.332
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.86
LogP (Chemaxon):2.47

Name Annotations

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Descriptor Annotations

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