3-aminopropyl(butan-2-yloxy)phosphinic acid

C7H18NO3P — CID 87168321

IUPAC3-aminopropyl(butan-2-yloxy)phosphinic acid
SMILESCCC(C)OP(=O)(O)CCCN
InChIInChI=1S/C7H18NO3P/c1-3-7(2)11-12(9,10)6-4-5-8/h7H,3-6,8H2,1-2H3,(H,9,10)
InChIKeyXJFSOAKICQKIMT-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.34
Rot. Bonds6

About 3-aminopropyl(butan-2-yloxy)phosphinic acid

3-aminopropyl(butan-2-yloxy)phosphinic acid (PubChem CID 87168321) has the molecular formula C7H18NO3P and a molecular weight of 195.20 g/mol. Its IUPAC name is 3-aminopropyl(butan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name3-aminopropyl(butan-2-yloxy)phosphinic acid
PubChem CID87168321
Molecular FormulaC7H18NO3P
Molecular Weight195.20 g/mol
Exact Mass195.10
IUPAC Name3-aminopropyl(butan-2-yloxy)phosphinic acid
SMILESCCC(C)OP(=O)(O)CCCN
InChIInChI=1S/C7H18NO3P/c1-3-7(2)11-12(9,10)6-4-5-8/h7H,3-6,8H2,1-2H3,(H,9,10)
InChIKeyXJFSOAKICQKIMT-UHFFFAOYSA-N
XLogP1.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid
CID 87765641
butan-2-yloxy-[3-[methyl(tetradecyl)amino]propyl]phosphinic acid;hydrobromide
CID 89239720
butyl(1,2-diaminoethoxy)phosphinic acid
CID 174844964
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
tributan-2-yl phosphate
CID 11482502
(4-amino-1-ethoxy-1-phosphorosobutyl)-butan-2-yloxyphosphinic acid
CID 87872089
butan-2-yl 7-aminoheptanoate
CID 60902438
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
(2-amino-3,4,5-trifluorophenyl)-butan-2-yloxyphosphinic acid
CID 87269414
butan-2-yl 4-amino-2-hydroxybutanoate
CID 107837492

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(butan-2-yloxy)phosphinic acid?
The IUPAC name of 3-aminopropyl(butan-2-yloxy)phosphinic acid (CID 87168321) is 3-aminopropyl(butan-2-yloxy)phosphinic acid.
What is the SMILES notation for 3-aminopropyl(butan-2-yloxy)phosphinic acid?
The canonical SMILES for 3-aminopropyl(butan-2-yloxy)phosphinic acid is CCC(C)OP(=O)(O)CCCN.
What is the InChIKey of 3-aminopropyl(butan-2-yloxy)phosphinic acid?
The InChIKey is XJFSOAKICQKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3P/c1-3-7(2)11-12(9,10)6-4-5-8/h7H,3-6,8H2,1-2H3,(H,9,10).
What are the key properties of 3-aminopropyl(butan-2-yloxy)phosphinic acid?
3-aminopropyl(butan-2-yloxy)phosphinic acid has a molecular weight of 195.20 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(butan-2-yloxy)phosphinic acid is sourced from PubChem (CID 87168321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).