Pd-0299685
(3S,5R)-3-(aminomethyl)-5-methyloctanoic acid
Molecular Identity
Pd-0299685
(3S,5R)-3-(aminomethyl)-5-methyloctanoic acid
PubChem CID: 10149052
2D Structure
Properties
C10H21NO2
Molecular Formula
187.28
Molecular Weight
g/mol
187.1572
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
148
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C)CC(CC(=O)O)CNIsomeric SMILES
SMILES: CCC[C@@H](C)C[C@@H](CC(=O)O)CNSynonyms(20)
PD-0299685313651-33-1PD 029968561SA6645RLUNII-61SA6645RL3-(Aminomethyl)-5-methyloctanoic acid, (3S,5R)-Octanoic acid, 3-(aminomethyl)-5-methyl-, (3S,5R)-RefChem:170549(3S,5R)-3-(aminomethyl)-5-methyloctanoic acid1420040-48-7(3s,5r)-3-aminomethyl-5-methyloctanoic acidSCHEMBL119378orb1944830CHEMBL4297316KKXFMWXZXDUYBF-BDAKNGLRSA-N
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pd-0299685
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