(3-amino-3-methylbutyl)phosphonic acid

C5H14NO3P — CID 18756981

IUPAC(3-amino-3-methylbutyl)phosphonic acid
SMILESCC(C)(N)CCP(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-5(2,6)3-4-10(7,8)9/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyOZGZYJKBOIMCOI-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.29
Rot. Bonds3

About (3-amino-3-methylbutyl)phosphonic acid

(3-amino-3-methylbutyl)phosphonic acid (PubChem CID 18756981) has the molecular formula C5H14NO3P and a molecular weight of 167.14 g/mol. Its IUPAC name is (3-amino-3-methylbutyl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-3-methylbutyl)phosphonic acid
PubChem CID18756981
Molecular FormulaC5H14NO3P
Molecular Weight167.14 g/mol
Exact Mass167.07
IUPAC Name(3-amino-3-methylbutyl)phosphonic acid
SMILESCC(C)(N)CCP(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-5(2,6)3-4-10(7,8)9/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyOZGZYJKBOIMCOI-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylbutyl)phosphonic acid?
The IUPAC name of (3-amino-3-methylbutyl)phosphonic acid (CID 18756981) is (3-amino-3-methylbutyl)phosphonic acid.
What is the SMILES notation for (3-amino-3-methylbutyl)phosphonic acid?
The canonical SMILES for (3-amino-3-methylbutyl)phosphonic acid is CC(C)(N)CCP(=O)(O)O.
What is the InChIKey of (3-amino-3-methylbutyl)phosphonic acid?
The InChIKey is OZGZYJKBOIMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P/c1-5(2,6)3-4-10(7,8)9/h3-4,6H2,1-2H3,(H2,7,8,9).
What are the key properties of (3-amino-3-methylbutyl)phosphonic acid?
(3-amino-3-methylbutyl)phosphonic acid has a molecular weight of 167.14 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylbutyl)phosphonic acid is sourced from PubChem (CID 18756981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).