[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid

C14H23ClNO4P — CID 23928163

IUPAC[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid
SMILESCCOC(OCC)P(=O)(O)C[C@@H](CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClNO4P/c1-3-19-14(20-4-2)21(17,18)10-12(9-16)11-5-7-13(15)8-6-11/h5-8,12,14H,3-4,9-10,16H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyRUXNGYAPBMVEBP-GFCCVEGCSA-N
MW335.77 g/mol
LogP3.01
Rot. Bonds9

About [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid

[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid (PubChem CID 23928163) has the molecular formula C14H23ClNO4P and a molecular weight of 335.77 g/mol. Its IUPAC name is [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid.

Molecular Properties

Compound Name[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid
PubChem CID23928163
Molecular FormulaC14H23ClNO4P
Molecular Weight335.77 g/mol
Exact Mass335.11
IUPAC Name[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid
SMILESCCOC(OCC)P(=O)(O)C[C@@H](CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClNO4P/c1-3-19-14(20-4-2)21(17,18)10-12(9-16)11-5-7-13(15)8-6-11/h5-8,12,14H,3-4,9-10,16H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyRUXNGYAPBMVEBP-GFCCVEGCSA-N
XLogP3.01
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[diethoxymethyl(ethoxy)phosphoryl]-2-(4-methylphenyl)propan-1-amine
CID 14362835
2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine
CID 10335157
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
(5S)-6-amino-5-(4-chlorophenyl)-2-methylhexan-3-one
CID 159651143
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
(1S)-1-(4-chlorophenyl)-2,2-diethoxyethanamine
CID 162516854
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid?
The IUPAC name of [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid (CID 23928163) is [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid.
What is the SMILES notation for [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid?
The canonical SMILES for [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid is CCOC(OCC)P(=O)(O)C[C@@H](CN)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid?
The InChIKey is RUXNGYAPBMVEBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23ClNO4P/c1-3-19-14(20-4-2)21(17,18)10-12(9-16)11-5-7-13(15)8-6-11/h5-8,12,14H,3-4,9-10,16H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid?
[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid has a molecular weight of 335.77 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid is sourced from PubChem (CID 23928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).