Chemical ID: 6912811

c1ccc(cc1)C(C2CC2)N3CCC3C(=O)O
Chemical ID:
6912811
Name [?]:
1-(cyclopropyl-phenyl-methyl)azetidine-2-carboxylic acid
SMILES [?]:
c1ccc(cc1)C(C2CC2)N3CCC3C(=O)O
InChi [?]:
InChI=1/C14H17NO2/c16-14(17)12-8-9-15(12)13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,13,12,4,8,14,7,15,11,16,17/E:(2,3)(4,5)(6,7)(16,17)/rA:17cCCCCCCCCCCNCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s8s9;s7;s11;s12;s11s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO2
All Atoms:34
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:7.98616
Area:393.181
Solvation:-1.84336
Coulombic:-34.3395
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.25
LogP (Chemaxon):-0.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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