[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid

C15H18NO3P — CID 950630

IUPAC[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
SMILESO=P(O)(CO)[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO3P/c17-12-20(18,19)15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2,(H,18,19)/t15-/m1/s1
InChIKeyDKQJTMXNLDDQLA-OAHLLOKOSA-N
MW291.29 g/mol
LogP2.70
Rot. Bonds6

About [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid

[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid (PubChem CID 950630) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid.

Molecular Properties

Compound Name[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
PubChem CID950630
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
SMILESO=P(O)(CO)[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO3P/c17-12-20(18,19)15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2,(H,18,19)/t15-/m1/s1
InChIKeyDKQJTMXNLDDQLA-OAHLLOKOSA-N
XLogP2.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(S)-(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 7079116
3-[[(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 3460999
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949709
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
acetic acid;[(benzylamino)-naphthalen-2-ylmethyl]phosphonic acid
CID 71349459
[1-(benzylamino)-2,2-dimethylpropyl]phosphonic acid
CID 130623996
[(benzylamino)-(4-hydroxy-3-methoxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
CID 4898785
(1S)-N-benzyl-1-(4-chlorophenyl)-1-dimethoxyphosphorylmethanamine
CID 139054525
N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
CID 563390
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607

Frequently Asked Questions

What is the IUPAC name of [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid?
The IUPAC name of [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid (CID 950630) is [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid.
What is the SMILES notation for [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid?
The canonical SMILES for [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid is O=P(O)(CO)[C@@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid?
The InChIKey is DKQJTMXNLDDQLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18NO3P/c17-12-20(18,19)15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2,(H,18,19)/t15-/m1/s1.
What are the key properties of [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid?
[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid has a molecular weight of 291.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid is sourced from PubChem (CID 950630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).