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

C12H20NO3P — CID 22873479

IUPAC[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
SMILESCC(C)C[C@H](N)C(O)P(=O)(O)c1ccccc1
InChIInChI=1S/C12H20NO3P/c1-9(2)8-11(13)12(14)17(15,16)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3,(H,15,16)/t11-,12?/m0/s1
InChIKeySQBXQNZVSZBLID-PXYINDEMSA-N
MW257.27 g/mol
LogP1.27
Rot. Bonds5

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

[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid (PubChem CID 22873479) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid.

Molecular Properties

Compound Name[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
PubChem CID22873479
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC Name[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
SMILESCC(C)C[C@H](N)C(O)P(=O)(O)c1ccccc1
InChIInChI=1S/C12H20NO3P/c1-9(2)8-11(13)12(14)17(15,16)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3,(H,15,16)/t11-,12?/m0/s1
InChIKeySQBXQNZVSZBLID-PXYINDEMSA-N
XLogP1.27
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 69037711
2-methylpropyl(phenyl)phosphinic acid
CID 793404
1-(methylamino)ethyl-phenylphosphinic acid
CID 12596027
[2-[(2S)-2-amino-1-hydroxy-4-methylpentyl]phenyl]-ethoxyphosphinic acid
CID 162136613
(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
CID 15939366
(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid
CID 15309993
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
[(1S)-1-hydroxy-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949317

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid?
The IUPAC name of [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid (CID 22873479) is [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid.
What is the SMILES notation for [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid?
The canonical SMILES for [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid is CC(C)C[C@H](N)C(O)P(=O)(O)c1ccccc1.
What is the InChIKey of [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid?
The InChIKey is SQBXQNZVSZBLID-PXYINDEMSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-9(2)8-11(13)12(14)17(15,16)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3,(H,15,16)/t11-,12?/m0/s1.
What are the key properties of [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid?
[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid has a molecular weight of 257.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid is sourced from PubChem (CID 22873479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).