[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid

C8H20NO2P — CID 178163308

IUPAC[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
SMILESCC(C)C[C@@H](N)CCP(C)(=O)O
InChIInChI=1S/C8H20NO2P/c1-7(2)6-8(9)4-5-12(3,10)11/h7-8H,4-6,9H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyAQUHNFGVANWROS-QMMMGPOBSA-N
MW193.23 g/mol
LogP1.65
Rot. Bonds5

About [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid

[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid (PubChem CID 178163308) has the molecular formula C8H20NO2P and a molecular weight of 193.23 g/mol. Its IUPAC name is [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid.

Molecular Properties

Compound Name[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
PubChem CID178163308
Molecular FormulaC8H20NO2P
Molecular Weight193.23 g/mol
Exact Mass193.12
IUPAC Name[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
SMILESCC(C)C[C@@H](N)CCP(C)(=O)O
InChIInChI=1S/C8H20NO2P/c1-7(2)6-8(9)4-5-12(3,10)11/h7-8H,4-6,9H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyAQUHNFGVANWROS-QMMMGPOBSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
(3-amino-5,5-dimethyl-4-oxohexyl)-methylphosphinic acid
CID 155787758
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699
(5S)-5-amino-7-methyloctanoic acid
CID 178163139
2-bromoethyl(methyl)phosphinic acid
CID 15783673
(3S)-5-methyl-1-methylsulfinylhexan-3-amine
CID 178163318
(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid
CID 130019208
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid?
The IUPAC name of [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid (CID 178163308) is [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid.
What is the SMILES notation for [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid?
The canonical SMILES for [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid is CC(C)C[C@@H](N)CCP(C)(=O)O.
What is the InChIKey of [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid?
The InChIKey is AQUHNFGVANWROS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20NO2P/c1-7(2)6-8(9)4-5-12(3,10)11/h7-8H,4-6,9H2,1-3H3,(H,10,11)/t8-/m0/s1.
What are the key properties of [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid?
[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid has a molecular weight of 193.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-amino-5-methylhexyl]-methylphosphinic acid is sourced from PubChem (CID 178163308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).