[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid

C14H24NO4P — CID 162136613

IUPAC[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccccc1C(O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H24NO4P/c1-4-19-20(17,18)13-8-6-5-7-11(13)14(16)12(15)9-10(2)3/h5-8,10,12,14,16H,4,9,15H2,1-3H3,(H,17,18)/t12-,14?/m0/s1
InChIKeyZJJJCFGDRFDGGU-NBFOIZRFSA-N
MW301.32 g/mol
LogP1.94
Rot. Bonds7

About [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid

[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid (PubChem CID 162136613) has the molecular formula C14H24NO4P and a molecular weight of 301.32 g/mol. Its IUPAC name is [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid
PubChem CID162136613
Molecular FormulaC14H24NO4P
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Name[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccccc1C(O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H24NO4P/c1-4-19-20(17,18)13-8-6-5-7-11(13)14(16)12(15)9-10(2)3/h5-8,10,12,14,16H,4,9,15H2,1-3H3,(H,17,18)/t12-,14?/m0/s1
InChIKeyZJJJCFGDRFDGGU-NBFOIZRFSA-N
XLogP1.94
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 62762382
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
CID 22873479
[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid
CID 118483667
2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol
CID 114078248
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
CID 171191613
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid?
The IUPAC name of [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid (CID 162136613) is [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid.
What is the SMILES notation for [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid?
The canonical SMILES for [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid is CCOP(=O)(O)c1ccccc1C(O)[C@@H](N)CC(C)C.
What is the InChIKey of [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid?
The InChIKey is ZJJJCFGDRFDGGU-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H24NO4P/c1-4-19-20(17,18)13-8-6-5-7-11(13)14(16)12(15)9-10(2)3/h5-8,10,12,14,16H,4,9,15H2,1-3H3,(H,17,18)/t12-,14?/m0/s1.
What are the key properties of [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid?
[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid has a molecular weight of 301.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid is sourced from PubChem (CID 162136613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).