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

C17H29N2O4P — CID 68531106

IUPACcyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
SMILESCOc1ccc(CNCC(O)CP(=O)(O)CC2CCCCC2)cn1
InChIInChI=1S/C17H29N2O4P/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/h7-8,10,14,16,18,20H,2-6,9,11-13H2,1H3,(H,21,22)
InChIKeyNFCKJASWDUZGIG-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.39
Rot. Bonds9

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

cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid (PubChem CID 68531106) has the molecular formula C17H29N2O4P and a molecular weight of 356.40 g/mol. Its IUPAC name is cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid.

Molecular Properties

Compound Namecyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
PubChem CID68531106
Molecular FormulaC17H29N2O4P
Molecular Weight356.40 g/mol
Exact Mass356.19
IUPAC Namecyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
SMILESCOc1ccc(CNCC(O)CP(=O)(O)CC2CCCCC2)cn1
InChIInChI=1S/C17H29N2O4P/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/h7-8,10,14,16,18,20H,2-6,9,11-13H2,1H3,(H,21,22)
InChIKeyNFCKJASWDUZGIG-UHFFFAOYSA-N
XLogP2.39
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.39
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-[(2S)-2-hydroxy-3-[(2-methoxy-4-pyridinyl)methylamino]propyl]phosphinic acid
CID 68891174
benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
CID 68889920
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
4-cyclopentyl-1-(6-methoxy-3-pyridinyl)butan-2-ol
CID 114192018
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
1-(1,1-dioxothiolan-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936682
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
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250
cyclohexylmethyl-[(2R)-3-[1-(2,5-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
CID 67741808

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
The IUPAC name of cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid (CID 68531106) is cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid.
What is the SMILES notation for cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
The canonical SMILES for cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid is COc1ccc(CNCC(O)CP(=O)(O)CC2CCCCC2)cn1.
What is the InChIKey of cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
The InChIKey is NFCKJASWDUZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N2O4P/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/h7-8,10,14,16,18,20H,2-6,9,11-13H2,1H3,(H,21,22).
What are the key properties of cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid?
cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid has a molecular weight of 356.40 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-[2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid is sourced from PubChem (CID 68531106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).