methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid

C18H22NO5P — CID 23213402

IUPACmethoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESCOP(=O)(O)CC(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H22NO5P/c1-23-25(21,22)14-17(12-15-8-4-2-5-9-15)19-18(20)24-13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,19,20)(H,21,22)
InChIKeyDKIWVTKARDVSBB-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.36
Rot. Bonds8

About methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid

methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid (PubChem CID 23213402) has the molecular formula C18H22NO5P and a molecular weight of 363.35 g/mol. Its IUPAC name is methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
PubChem CID23213402
Molecular FormulaC18H22NO5P
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Namemethoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESCOP(=O)(O)CC(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H22NO5P/c1-23-25(21,22)14-17(12-15-8-4-2-5-9-15)19-18(20)24-13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,19,20)(H,21,22)
InChIKeyDKIWVTKARDVSBB-UHFFFAOYSA-N
XLogP3.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonic acid
CID 12524618
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11824259
benzyl N-(1-dimethoxyphosphoryl-2-oxobutyl)carbamate
CID 59913356
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 11337603
benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate
CID 76777603
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603

Frequently Asked Questions

What is the IUPAC name of methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The IUPAC name of methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid (CID 23213402) is methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid.
What is the SMILES notation for methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The canonical SMILES for methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid is COP(=O)(O)CC(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The InChIKey is DKIWVTKARDVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO5P/c1-23-25(21,22)14-17(12-15-8-4-2-5-9-15)19-18(20)24-13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,19,20)(H,21,22).
What are the key properties of methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid has a molecular weight of 363.35 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid is sourced from PubChem (CID 23213402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).