benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid

C16H21N2O3P — CID 67791611

IUPACbenzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid
SMILESO=P(O)(Cc1ccccc1)C[C@H](O)CNCc1ccccn1
InChIInChI=1S/C16H21N2O3P/c19-16(11-17-10-15-8-4-5-9-18-15)13-22(20,21)12-14-6-2-1-3-7-14/h1-9,16-17,19H,10-13H2,(H,20,21)/t16-/m1/s1
InChIKeyDQTXREZQTSRRTI-MRXNPFEDSA-N
MW320.33 g/mol
LogP2.00
Rot. Bonds8

About benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid

benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid (PubChem CID 67791611) has the molecular formula C16H21N2O3P and a molecular weight of 320.33 g/mol. Its IUPAC name is benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid.

Molecular Properties

Compound Namebenzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid
PubChem CID67791611
Molecular FormulaC16H21N2O3P
Molecular Weight320.33 g/mol
Exact Mass320.13
IUPAC Namebenzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid
SMILESO=P(O)(Cc1ccccc1)C[C@H](O)CNCc1ccccn1
InChIInChI=1S/C16H21N2O3P/c19-16(11-17-10-15-8-4-5-9-18-15)13-22(20,21)12-14-6-2-1-3-7-14/h1-9,16-17,19H,10-13H2,(H,20,21)/t16-/m1/s1
InChIKeyDQTXREZQTSRRTI-MRXNPFEDSA-N
XLogP2.00
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[(2S)-3-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]phosphinic acid
CID 18658127
(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
CID 68608574
2-[[benzyl-[2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]amino]methyl]phenol
CID 102344636
4-[1-[[(2S)-3-[benzyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
CID 18653949
1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 106483896
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
3-[hydroxy(pyridin-2-ylmethyl)phosphoryl]-2-phenylpropanoic acid
CID 18472794
benzyl-dihydroxy-[2-oxo-3-(pyridin-2-ylmethylamino)propyl]phosphanium
CID 57260915
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid?
The IUPAC name of benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid (CID 67791611) is benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid.
What is the SMILES notation for benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid?
The canonical SMILES for benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid is O=P(O)(Cc1ccccc1)C[C@H](O)CNCc1ccccn1.
What is the InChIKey of benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid?
The InChIKey is DQTXREZQTSRRTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N2O3P/c19-16(11-17-10-15-8-4-5-9-18-15)13-22(20,21)12-14-6-2-1-3-7-14/h1-9,16-17,19H,10-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid?
benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid has a molecular weight of 320.33 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-2-hydroxy-3-(pyridin-2-ylmethylamino)propyl]phosphinic acid is sourced from PubChem (CID 67791611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).