[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid

C10H17NO7P2 — CID 11566043

IUPAC[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid
SMILESO=P(O)(O)C(CN[C@@H](CO)c1ccccc1)P(=O)(O)O
InChIInChI=1S/C10H17NO7P2/c12-7-9(8-4-2-1-3-5-8)11-6-10(19(13,14)15)20(16,17)18/h1-5,9-12H,6-7H2,(H2,13,14,15)(H2,16,17,18)/t9-/m0/s1
InChIKeyVHVIAONLCAKZOT-VIFPVBQESA-N
MW325.19 g/mol
LogP-0.01
Rot. Bonds7

About [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid

[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid (PubChem CID 11566043) has the molecular formula C10H17NO7P2 and a molecular weight of 325.19 g/mol. Its IUPAC name is [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid
PubChem CID11566043
Molecular FormulaC10H17NO7P2
Molecular Weight325.19 g/mol
Exact Mass325.05
IUPAC Name[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid
SMILESO=P(O)(O)C(CN[C@@H](CO)c1ccccc1)P(=O)(O)O
InChIInChI=1S/C10H17NO7P2/c12-7-9(8-4-2-1-3-5-8)11-6-10(19(13,14)15)20(16,17)18/h1-5,9-12H,6-7H2,(H2,13,14,15)(H2,16,17,18)/t9-/m0/s1
InChIKeyVHVIAONLCAKZOT-VIFPVBQESA-N
XLogP-0.01
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907
beta-(Methylamino)benzeneethanol
CID 12247455
(S)-2-(Methylamino)-2-phenylethanol
CID 10057687
2-(Ethylamino)-2-phenylethan-1-ol
CID 13278150
(S)-2-(Methylamino)-2-phenylethanol hydrochloride
CID 91844858
(2-Amino-1-hydroxy-2-phenylethyl)phosphonic acid
CID 53319077
(2S)-2-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethylamino]butan-1-ol;dihydrochloride
CID 90665036
2-(Benzylamino)-2-dimethoxyphosphorylpropan-1-ol
CID 155552484
2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
CID 155553818

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid?
The IUPAC name of [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid (CID 11566043) is [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid.
What is the SMILES notation for [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid?
The canonical SMILES for [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid is O=P(O)(O)C(CN[C@@H](CO)c1ccccc1)P(=O)(O)O.
What is the InChIKey of [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid?
The InChIKey is VHVIAONLCAKZOT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO7P2/c12-7-9(8-4-2-1-3-5-8)11-6-10(19(13,14)15)20(16,17)18/h1-5,9-12H,6-7H2,(H2,13,14,15)(H2,16,17,18)/t9-/m0/s1.
What are the key properties of [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid?
[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid has a molecular weight of 325.19 g/mol, XLogP of -0.01, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid is sourced from PubChem (CID 11566043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).