[(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium

C9H13NO5P- — CID 2363891

IUPAC[(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium
SMILESCOc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1OC
InChIInChI=1S/C9H14NO5P/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13/h3-5,9H,10H2,1-2H3,(H2,11,12,13)/p-1/t9-/m1/s1
InChIKeyAMMIPTZQPRJUAU-SECBINFHSA-M
MW246.18 g/mol
LogP-1.14
Rot. Bonds4

About [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium

[(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium (PubChem CID 2363891) has the molecular formula C9H13NO5P- and a molecular weight of 246.18 g/mol. Its IUPAC name is [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium.

Molecular Properties

Compound Name[(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium
PubChem CID2363891
Molecular FormulaC9H13NO5P-
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Name[(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium
SMILESCOc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1OC
InChIInChI=1S/C9H14NO5P/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13/h3-5,9H,10H2,1-2H3,(H2,11,12,13)/p-1/t9-/m1/s1
InChIKeyAMMIPTZQPRJUAU-SECBINFHSA-M
XLogP-1.14
TPSA109.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(S)-(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]azanium
CID 7183177
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
[1-(3,4-dimethoxyphenyl)-3-methylbutyl]azanium
CID 23378141
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
[(1S)-1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]azanium
CID 7131802
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate
CID 22952871
[(3,4-dimethoxyphenyl)-nitromethyl] carbamate
CID 57260971
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 6921093
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium?
The IUPAC name of [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium (CID 2363891) is [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium.
What is the SMILES notation for [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium?
The canonical SMILES for [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium is COc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1OC.
What is the InChIKey of [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium?
The InChIKey is AMMIPTZQPRJUAU-SECBINFHSA-M. The full InChI is InChI=1S/C9H14NO5P/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13/h3-5,9H,10H2,1-2H3,(H2,11,12,13)/p-1/t9-/m1/s1.
What are the key properties of [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium?
[(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium has a molecular weight of 246.18 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(3,4-dimethoxyphenyl)-phosphonatomethyl]azanium is sourced from PubChem (CID 2363891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).