3-(tert-butylamino)propyl-hydroxyphosphinate

C7H17NO3P- — CID 58400626

IUPAC3-(tert-butylamino)propyl-hydroxyphosphinate
SMILESCC(C)(C)NCCCP(=O)([O-])O
InChIInChI=1S/C7H18NO3P/c1-7(2,3)8-5-4-6-12(9,10)11/h8H,4-6H2,1-3H3,(H2,9,10,11)/p-1
InChIKeyVCENGHQJWVMXBE-UHFFFAOYSA-M
MW194.19 g/mol
LogP0.31
Rot. Bonds4

About 3-(tert-butylamino)propyl-hydroxyphosphinate

3-(tert-butylamino)propyl-hydroxyphosphinate (PubChem CID 58400626) has the molecular formula C7H17NO3P- and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(tert-butylamino)propyl-hydroxyphosphinate.

Molecular Properties

Compound Name3-(tert-butylamino)propyl-hydroxyphosphinate
PubChem CID58400626
Molecular FormulaC7H17NO3P-
Molecular Weight194.19 g/mol
Exact Mass194.10
IUPAC Name3-(tert-butylamino)propyl-hydroxyphosphinate
SMILESCC(C)(C)NCCCP(=O)([O-])O
InChIInChI=1S/C7H18NO3P/c1-7(2,3)8-5-4-6-12(9,10)11/h8H,4-6H2,1-3H3,(H2,9,10,11)/p-1
InChIKeyVCENGHQJWVMXBE-UHFFFAOYSA-M
XLogP0.31
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(tert-butylamino)propyl-hydroxyphosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P-(1-(Butylamino)-1-methylethyl)phosphinic acid
CID 72084
Butaphosphan
CID 6328684
[2-(Butylamino)-1-phosphono-ethyl]phosphonic acid
CID 15390275
[2-(Isobutylamino)-1-phosphono-ethyl]phosphonic acid
CID 15390278
[2-(Tert-butylamino)-1-phosphono-ethyl]phosphonic acid
CID 19689018
[1-Phosphono-2-(sec-butylamino)ethyl]phosphonic acid
CID 44451344
[1-Amino-2-(2-methylpropylamino)ethyl]phosphonic acid
CID 127048872
(3-(Methylamino)propyl)phosphonic acid
CID 12557429
Butaphosphone
CID 3082402
3-(2-Aminoethylamino)butylphosphonic acid
CID 57078809
1-(Propylamino)ethylphosphonic acid
CID 12596023
1-(Propan-2-ylamino)ethylphosphonic acid
CID 12596024

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)propyl-hydroxyphosphinate?
The IUPAC name of 3-(tert-butylamino)propyl-hydroxyphosphinate (CID 58400626) is 3-(tert-butylamino)propyl-hydroxyphosphinate.
What is the SMILES notation for 3-(tert-butylamino)propyl-hydroxyphosphinate?
The canonical SMILES for 3-(tert-butylamino)propyl-hydroxyphosphinate is CC(C)(C)NCCCP(=O)([O-])O.
What is the InChIKey of 3-(tert-butylamino)propyl-hydroxyphosphinate?
The InChIKey is VCENGHQJWVMXBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO3P/c1-7(2,3)8-5-4-6-12(9,10)11/h8H,4-6H2,1-3H3,(H2,9,10,11)/p-1.
What are the key properties of 3-(tert-butylamino)propyl-hydroxyphosphinate?
3-(tert-butylamino)propyl-hydroxyphosphinate has a molecular weight of 194.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)propyl-hydroxyphosphinate is sourced from PubChem (CID 58400626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).