Chemical Component Summary

Name5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid
Identifiers5-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-1-[4-(3-fluoranylpropyl)phenyl]pyrazole-3-carboxylic acid
FormulaC16 H18 F N3 O4
Molecular Weight335.33
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N
InChIInChI=1S/C16H18FN3O4/c17-7-1-2-10-3-5-11(6-4-10)20-12(8-13(18)15(21)22)9-14(19-20)16(23)24/h3-6,9,13H,1-2,7-8,18H2,(H,21,22)(H,23,24)/t13-/m1/s1
InChIKeyXSHSSHMFDKPBFY-CYBMUJFWSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count43
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 121596320