Molecular Identity
Amoxicillin
(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 33613
Amoxicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of an amoxicillin(1-).
2D Structure
Properties
C16H19N3O5S
Molecular Formula
365.40
Molecular Weight
g/mol
365.1045
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
158
TPSA
May have limited oral absorption
4
H-Bond Donors
7
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CIsomeric SMILES
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSynonyms(20)
amoxicillin26787-78-0AmoxycillinAmoxicillin anhydrousAmoxicillineAmopenixinp-HydroxyampicillinD-AmoxicillinAmoxilAmoxicilinaAmolinMoxalTrimoxAmoxicillinumAmoxiden
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amoxicillin
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