(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid

C6H16NO3P — CID 130019208

IUPAC(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid
SMILESCC(C)CC(N)P(=O)(O)CO
InChIInChI=1S/C6H16NO3P/c1-5(2)3-6(7)11(9,10)4-8/h5-6,8H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyWRLAZCJXBRUHDO-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.54
Rot. Bonds4

About (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid

(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid (PubChem CID 130019208) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid.

Molecular Properties

Compound Name(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid
PubChem CID130019208
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid
SMILESCC(C)CC(N)P(=O)(O)CO
InChIInChI=1S/C6H16NO3P/c1-5(2)3-6(7)11(9,10)4-8/h5-6,8H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyWRLAZCJXBRUHDO-UHFFFAOYSA-N
XLogP0.54
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid?
The IUPAC name of (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid (CID 130019208) is (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid.
What is the SMILES notation for (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid?
The canonical SMILES for (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid is CC(C)CC(N)P(=O)(O)CO.
What is the InChIKey of (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid?
The InChIKey is WRLAZCJXBRUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-5(2)3-6(7)11(9,10)4-8/h5-6,8H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid?
(1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid has a molecular weight of 181.17 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylbutyl)-(hydroxymethyl)phosphinic acid is sourced from PubChem (CID 130019208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).