[1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid

C9H22NO4P — CID 88877950

IUPAC[1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid
SMILESCC(C)(C)C(N(O)C(C)(C)C)P(=O)(O)O
InChIInChI=1S/C9H22NO4P/c1-8(2,3)7(15(12,13)14)10(11)9(4,5)6/h7,11H,1-6H3,(H2,12,13,14)
InChIKeyTWCWBJBAPPRIAX-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.03
Rot. Bonds2

About [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid

[1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid (PubChem CID 88877950) has the molecular formula C9H22NO4P and a molecular weight of 239.25 g/mol. Its IUPAC name is [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid.

Molecular Properties

Compound Name[1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid
PubChem CID88877950
Molecular FormulaC9H22NO4P
Molecular Weight239.25 g/mol
Exact Mass239.13
IUPAC Name[1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid
SMILESCC(C)(C)C(N(O)C(C)(C)C)P(=O)(O)O
InChIInChI=1S/C9H22NO4P/c1-8(2,3)7(15(12,13)14)10(11)9(4,5)6/h7,11H,1-6H3,(H2,12,13,14)
InChIKeyTWCWBJBAPPRIAX-UHFFFAOYSA-N
XLogP2.03
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid?
The IUPAC name of [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid (CID 88877950) is [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid.
What is the SMILES notation for [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid?
The canonical SMILES for [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid is CC(C)(C)C(N(O)C(C)(C)C)P(=O)(O)O.
What is the InChIKey of [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid?
The InChIKey is TWCWBJBAPPRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO4P/c1-8(2,3)7(15(12,13)14)10(11)9(4,5)6/h7,11H,1-6H3,(H2,12,13,14).
What are the key properties of [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid?
[1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid has a molecular weight of 239.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(hydroxy)amino]-2,2-dimethylpropyl]phosphonic acid is sourced from PubChem (CID 88877950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).