[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid

C15H19N2O4P — CID 102389288

IUPAC[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid
SMILESC[C@@](N)([C@H](N)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C15H19N2O4P/c1-15(17,22(18,19)20)14(16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10,14H,16-17H2,1H3,(H2,18,19,20)/t14-,15+/m1/s1
InChIKeyHGGHJURODSUBEZ-CABCVRRESA-N
MW322.30 g/mol
LogP2.33
Rot. Bonds5

About [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid

[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid (PubChem CID 102389288) has the molecular formula C15H19N2O4P and a molecular weight of 322.30 g/mol. Its IUPAC name is [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid
PubChem CID102389288
Molecular FormulaC15H19N2O4P
Molecular Weight322.30 g/mol
Exact Mass322.11
IUPAC Name[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid
SMILESC[C@@](N)([C@H](N)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C15H19N2O4P/c1-15(17,22(18,19)20)14(16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10,14H,16-17H2,1H3,(H2,18,19,20)/t14-,15+/m1/s1
InChIKeyHGGHJURODSUBEZ-CABCVRRESA-N
XLogP2.33
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-ol;hydrochloride
CID 171249308
methyl (3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249298
tert-butyl (3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propanoate
CID 125457244
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
phenoxybenzene;propane-2,2-diol
CID 174556232
chlorophosphonic acid;1-methyl-4-phenoxybenzene
CID 88791217
2-(4-phenoxyphenyl)propanoic acid
CID 527817
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid
CID 68614393
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid?
The IUPAC name of [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid (CID 102389288) is [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid.
What is the SMILES notation for [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid?
The canonical SMILES for [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid is C[C@@](N)([C@H](N)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid?
The InChIKey is HGGHJURODSUBEZ-CABCVRRESA-N. The full InChI is InChI=1S/C15H19N2O4P/c1-15(17,22(18,19)20)14(16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10,14H,16-17H2,1H3,(H2,18,19,20)/t14-,15+/m1/s1.
What are the key properties of [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid?
[(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid has a molecular weight of 322.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1,2-diamino-1-(4-phenoxyphenyl)propan-2-yl]phosphonic acid is sourced from PubChem (CID 102389288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).