(3-amino-3-methylbutan-2-yl)phosphonic acid

C5H14NO3P — CID 87814240

IUPAC(3-amino-3-methylbutan-2-yl)phosphonic acid
SMILESCC(C(C)(C)N)P(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-4(5(2,3)6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)
InChIKeyPIMHDSFMZBVWBI-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.29
Rot. Bonds2

About (3-amino-3-methylbutan-2-yl)phosphonic acid

(3-amino-3-methylbutan-2-yl)phosphonic acid (PubChem CID 87814240) has the molecular formula C5H14NO3P and a molecular weight of 167.14 g/mol. Its IUPAC name is (3-amino-3-methylbutan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-3-methylbutan-2-yl)phosphonic acid
PubChem CID87814240
Molecular FormulaC5H14NO3P
Molecular Weight167.14 g/mol
Exact Mass167.07
IUPAC Name(3-amino-3-methylbutan-2-yl)phosphonic acid
SMILESCC(C(C)(C)N)P(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-4(5(2,3)6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)
InChIKeyPIMHDSFMZBVWBI-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
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-methylbutan-2-yl)phosphonic acid?
The IUPAC name of (3-amino-3-methylbutan-2-yl)phosphonic acid (CID 87814240) is (3-amino-3-methylbutan-2-yl)phosphonic acid.
What is the SMILES notation for (3-amino-3-methylbutan-2-yl)phosphonic acid?
The canonical SMILES for (3-amino-3-methylbutan-2-yl)phosphonic acid is CC(C(C)(C)N)P(=O)(O)O.
What is the InChIKey of (3-amino-3-methylbutan-2-yl)phosphonic acid?
The InChIKey is PIMHDSFMZBVWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P/c1-4(5(2,3)6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9).
What are the key properties of (3-amino-3-methylbutan-2-yl)phosphonic acid?
(3-amino-3-methylbutan-2-yl)phosphonic acid has a molecular weight of 167.14 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylbutan-2-yl)phosphonic acid is sourced from PubChem (CID 87814240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).