benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid

C17H23N2O4P — CID 68889920

IUPACbenzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
SMILESCOc1ccc(CNC[C@@H](O)CP(=O)(O)Cc2ccccc2)cn1
InChIInChI=1S/C17H23N2O4P/c1-23-17-8-7-15(10-19-17)9-18-11-16(20)13-24(21,22)12-14-5-3-2-4-6-14/h2-8,10,16,18,20H,9,11-13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyUHOICZNZGOUGJD-MRXNPFEDSA-N
MW350.36 g/mol
LogP2.01
Rot. Bonds9

About benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid

benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid (PubChem CID 68889920) has the molecular formula C17H23N2O4P and a molecular weight of 350.36 g/mol. Its IUPAC name is benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid.

Molecular Properties

Compound Namebenzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
PubChem CID68889920
Molecular FormulaC17H23N2O4P
Molecular Weight350.36 g/mol
Exact Mass350.14
IUPAC Namebenzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
SMILESCOc1ccc(CNC[C@@H](O)CP(=O)(O)Cc2ccccc2)cn1
InChIInChI=1S/C17H23N2O4P/c1-23-17-8-7-15(10-19-17)9-18-11-16(20)13-24(21,22)12-14-5-3-2-4-6-14/h2-8,10,16,18,20H,9,11-13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyUHOICZNZGOUGJD-MRXNPFEDSA-N
XLogP2.01
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
CID 68531106
benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid
CID 67791611
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
(4-chlorophenyl)methyl-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]phosphinic acid
CID 19430123
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-[(6-methoxy-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 62991338
[(2S)-3-[(3,4-dichlorophenyl)methylamino]-2-hydroxypropyl]-[(4-methylphenyl)methyl]phosphinic acid;hydrochloride
CID 67764497
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
cyclohexylmethyl-[(2S)-2-hydroxy-3-[(2-methoxy-4-pyridinyl)methylamino]propyl]phosphinic acid
CID 68891174
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
The IUPAC name of benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid (CID 68889920) is benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid.
What is the SMILES notation for benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
The canonical SMILES for benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid is COc1ccc(CNC[C@@H](O)CP(=O)(O)Cc2ccccc2)cn1.
What is the InChIKey of benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
The InChIKey is UHOICZNZGOUGJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N2O4P/c1-23-17-8-7-15(10-19-17)9-18-11-16(20)13-24(21,22)12-14-5-3-2-4-6-14/h2-8,10,16,18,20H,9,11-13H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid has a molecular weight of 350.36 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid is sourced from PubChem (CID 68889920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).