3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid

C10H26N2O6P2 — CID 88602394

IUPAC3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCC(N)CCP(C)(=O)O.CP(=O)(O)CCC(N)C(=O)O
InChIInChI=1S/C5H12NO4P.C5H14NO2P/c1-11(9,10)3-2-4(6)5(7)8;1-5(6)3-4-9(2,7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);5H,3-4,6H2,1-2H3,(H,7,8)
InChIKeyGKHUYDPOGNSCGH-UHFFFAOYSA-N
MW332.27 g/mol
LogP0.31
Rot. Bonds7

About 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid

3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid (PubChem CID 88602394) has the molecular formula C10H26N2O6P2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
PubChem CID88602394
Molecular FormulaC10H26N2O6P2
Molecular Weight332.27 g/mol
Exact Mass332.13
IUPAC Name3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCC(N)CCP(C)(=O)O.CP(=O)(O)CCC(N)C(=O)O
InChIInChI=1S/C5H12NO4P.C5H14NO2P/c1-11(9,10)3-2-4(6)5(7)8;1-5(6)3-4-9(2,7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);5H,3-4,6H2,1-2H3,(H,7,8)
InChIKeyGKHUYDPOGNSCGH-UHFFFAOYSA-N
XLogP0.31
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
(3-amino-5,5-dimethyl-4-oxohexyl)-methylphosphinic acid
CID 155787758
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
CID 11499981
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
CID 178163308
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 167231881

Frequently Asked Questions

What is the IUPAC name of 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The IUPAC name of 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid (CID 88602394) is 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid.
What is the SMILES notation for 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The canonical SMILES for 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is CC(N)CCP(C)(=O)O.CP(=O)(O)CCC(N)C(=O)O.
What is the InChIKey of 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The InChIKey is GKHUYDPOGNSCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P.C5H14NO2P/c1-11(9,10)3-2-4(6)5(7)8;1-5(6)3-4-9(2,7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);5H,3-4,6H2,1-2H3,(H,7,8).
What are the key properties of 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid?
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid has a molecular weight of 332.27 g/mol, XLogP of 0.31, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is sourced from PubChem (CID 88602394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).