[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium

C16H21NO4P+ — CID 91935310

IUPAC[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium
SMILESCOc1ccc([C@H]([NH2+][C@@H](C)c2ccccc2)P(=O)(O)O)cc1
InChIInChI=1S/C16H20NO4P/c1-12(13-6-4-3-5-7-13)17-16(22(18,19)20)14-8-10-15(21-2)11-9-14/h3-12,16-17H,1-2H3,(H2,18,19,20)/p+1/t12-,16+/m0/s1
InChIKeySMDIVUHOEDWVRD-BLLLJJGKSA-O
MW322.32 g/mol
LogP2.20
Rot. Bonds6

About [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium

[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium (PubChem CID 91935310) has the molecular formula C16H21NO4P+ and a molecular weight of 322.32 g/mol. Its IUPAC name is [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium
PubChem CID91935310
Molecular FormulaC16H21NO4P+
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium
SMILESCOc1ccc([C@H]([NH2+][C@@H](C)c2ccccc2)P(=O)(O)O)cc1
InChIInChI=1S/C16H20NO4P/c1-12(13-6-4-3-5-7-13)17-16(22(18,19)20)14-8-10-15(21-2)11-9-14/h3-12,16-17H,1-2H3,(H2,18,19,20)/p+1/t12-,16+/m0/s1
InChIKeySMDIVUHOEDWVRD-BLLLJJGKSA-O
XLogP2.20
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(S)-(4-methoxyphenyl)-phosphonomethyl]-[(1R)-1-phenylethyl]azanium chloride
CID 44586809
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium (CID 91935310) is [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium is COc1ccc([C@H]([NH2+][C@@H](C)c2ccccc2)P(=O)(O)O)cc1.
What is the InChIKey of [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is SMDIVUHOEDWVRD-BLLLJJGKSA-O. The full InChI is InChI=1S/C16H20NO4P/c1-12(13-6-4-3-5-7-13)17-16(22(18,19)20)14-8-10-15(21-2)11-9-14/h3-12,16-17H,1-2H3,(H2,18,19,20)/p+1/t12-,16+/m0/s1.
What are the key properties of [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium?
[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 322.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 91935310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).