(tert-butylamino)methylphosphonic acid

C5H14NO3P — CID 20512660

IUPAC(tert-butylamino)methylphosphonic acid
SMILESCC(C)(C)NCP(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-5(2,3)6-4-10(7,8)9/h6H,4H2,1-3H3,(H2,7,8,9)
InChIKeyCQXLXIPNIZYMHR-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.51
Rot. Bonds2

About (tert-butylamino)methylphosphonic acid

(tert-butylamino)methylphosphonic acid (PubChem CID 20512660) has the molecular formula C5H14NO3P and a molecular weight of 167.14 g/mol. Its IUPAC name is (tert-butylamino)methylphosphonic acid.

Molecular Properties

Compound Name(tert-butylamino)methylphosphonic acid
PubChem CID20512660
Molecular FormulaC5H14NO3P
Molecular Weight167.14 g/mol
Exact Mass167.07
IUPAC Name(tert-butylamino)methylphosphonic acid
SMILESCC(C)(C)NCP(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-5(2,3)6-4-10(7,8)9/h6H,4H2,1-3H3,(H2,7,8,9)
InChIKeyCQXLXIPNIZYMHR-UHFFFAOYSA-N
XLogP0.51
TPSA69.56 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 ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Propan-2-ylamino)methylphosphonic acid
CID 13144267
Propylaminomethylphosphonic acid
CID 13171108
Tert-butyl-[[hydroxy(oxo)phosphaniumyl]methyl]-(phosphomethyl)azanium
CID 168341405
2-(Methylamino)propylphosphonic acid
CID 12557413
Bis(tert-butylaminomethyl)phosphinic acid
CID 12565361
(2-Methylpropylamino)methylphosphonic acid
CID 13827660
(Butan-2-ylamino)methylphosphonic acid
CID 20030467
dihydroxy(oxo)phosphanium;N-methylpropan-2-amine
CID 22161000
Aminomethylphosphonic acid;2-methylpropan-2-amine
CID 22757851
2-(Methylamino)propan-2-ylphosphonic acid
CID 54554750
3-(Tert-butylamino)propyl-hydroxyphosphinate
CID 58400626
3-(Tert-butylamino)propylphosphonic acid
CID 58400627

Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)methylphosphonic acid?
The IUPAC name of (tert-butylamino)methylphosphonic acid (CID 20512660) is (tert-butylamino)methylphosphonic acid.
What is the SMILES notation for (tert-butylamino)methylphosphonic acid?
The canonical SMILES for (tert-butylamino)methylphosphonic acid is CC(C)(C)NCP(=O)(O)O.
What is the InChIKey of (tert-butylamino)methylphosphonic acid?
The InChIKey is CQXLXIPNIZYMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P/c1-5(2,3)6-4-10(7,8)9/h6H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of (tert-butylamino)methylphosphonic acid?
(tert-butylamino)methylphosphonic acid has a molecular weight of 167.14 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)methylphosphonic acid is sourced from PubChem (CID 20512660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).