[(S)-(benzylamino)-phenylmethyl]phosphonic acid

C14H16NO3P — CID 13144262

IUPAC[(S)-(benzylamino)-phenylmethyl]phosphonic acid
SMILESO=P(O)(O)[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m0/s1
InChIKeySLMGIUOAZCYKPE-AWEZNQCLSA-N
MW277.26 g/mol
LogP2.65
Rot. Bonds5

About [(S)-(benzylamino)-phenylmethyl]phosphonic acid

[(S)-(benzylamino)-phenylmethyl]phosphonic acid (PubChem CID 13144262) has the molecular formula C14H16NO3P and a molecular weight of 277.26 g/mol. Its IUPAC name is [(S)-(benzylamino)-phenylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(S)-(benzylamino)-phenylmethyl]phosphonic acid
PubChem CID13144262
Molecular FormulaC14H16NO3P
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name[(S)-(benzylamino)-phenylmethyl]phosphonic acid
SMILESO=P(O)(O)[C@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m0/s1
InChIKeySLMGIUOAZCYKPE-AWEZNQCLSA-N
XLogP2.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(S)-(benzylamino)-phenylmethyl]phosphonic acid?
The IUPAC name of [(S)-(benzylamino)-phenylmethyl]phosphonic acid (CID 13144262) is [(S)-(benzylamino)-phenylmethyl]phosphonic acid.
What is the SMILES notation for [(S)-(benzylamino)-phenylmethyl]phosphonic acid?
The canonical SMILES for [(S)-(benzylamino)-phenylmethyl]phosphonic acid is O=P(O)(O)[C@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of [(S)-(benzylamino)-phenylmethyl]phosphonic acid?
The InChIKey is SLMGIUOAZCYKPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of [(S)-(benzylamino)-phenylmethyl]phosphonic acid?
[(S)-(benzylamino)-phenylmethyl]phosphonic acid has a molecular weight of 277.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(benzylamino)-phenylmethyl]phosphonic acid is sourced from PubChem (CID 13144262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).