[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid

C13H19N2O6P — CID 102421415

IUPAC[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid
SMILESN[C@]1(P(=O)(O)O)CCN(C(=O)OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C13H19N2O6P/c14-13(22(18,19)20)6-7-15(8-11(13)16)12(17)21-9-10-4-2-1-3-5-10/h1-5,11,16H,6-9,14H2,(H2,18,19,20)/t11-,13-/m0/s1
InChIKeyUUXWNTUIPRLRAV-AAEUAGOBSA-N
MW330.28 g/mol
LogP0.22
Rot. Bonds3

About [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid

[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid (PubChem CID 102421415) has the molecular formula C13H19N2O6P and a molecular weight of 330.28 g/mol. Its IUPAC name is [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid.

Molecular Properties

Compound Name[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid
PubChem CID102421415
Molecular FormulaC13H19N2O6P
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid
SMILESN[C@]1(P(=O)(O)O)CCN(C(=O)OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C13H19N2O6P/c14-13(22(18,19)20)6-7-15(8-11(13)16)12(17)21-9-10-4-2-1-3-5-10/h1-5,11,16H,6-9,14H2,(H2,18,19,20)/t11-,13-/m0/s1
InChIKeyUUXWNTUIPRLRAV-AAEUAGOBSA-N
XLogP0.22
TPSA133.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CID 102421396
benzyl 3,4-dihydroxy-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 58138456
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl 4-hydroxy-3-phenylmethoxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 121378621
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (2S,3'R,3aR,7aR)-3'-hydroxyspiro[3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 110134132
benzyl (3S,4R)-4-(aminomethyl)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 125117327

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid?
The IUPAC name of [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid (CID 102421415) is [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid.
What is the SMILES notation for [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid?
The canonical SMILES for [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid is N[C@]1(P(=O)(O)O)CCN(C(=O)OCc2ccccc2)C[C@@H]1O.
What is the InChIKey of [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid?
The InChIKey is UUXWNTUIPRLRAV-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19N2O6P/c14-13(22(18,19)20)6-7-15(8-11(13)16)12(17)21-9-10-4-2-1-3-5-10/h1-5,11,16H,6-9,14H2,(H2,18,19,20)/t11-,13-/m0/s1.
What are the key properties of [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid?
[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid has a molecular weight of 330.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid is sourced from PubChem (CID 102421415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).