(3-aminocyclobutyl)-methylphosphinic acid

C5H12NO2P — CID 24895105

IUPAC(3-aminocyclobutyl)-methylphosphinic acid
SMILESCP(=O)(O)C1CC(N)C1
InChIInChI=1S/C5H12NO2P/c1-9(7,8)5-2-4(6)3-5/h4-5H,2-3,6H2,1H3,(H,7,8)
InChIKeyRZAAKJPCLAJRDZ-UHFFFAOYSA-N
MW149.13 g/mol
LogP0.38
Rot. Bonds1

About (3-aminocyclobutyl)-methylphosphinic acid

(3-aminocyclobutyl)-methylphosphinic acid (PubChem CID 24895105) has the molecular formula C5H12NO2P and a molecular weight of 149.13 g/mol. Its IUPAC name is (3-aminocyclobutyl)-methylphosphinic acid.

Molecular Properties

Compound Name(3-aminocyclobutyl)-methylphosphinic acid
PubChem CID24895105
Molecular FormulaC5H12NO2P
Molecular Weight149.13 g/mol
Exact Mass149.06
IUPAC Name(3-aminocyclobutyl)-methylphosphinic acid
SMILESCP(=O)(O)C1CC(N)C1
InChIInChI=1S/C5H12NO2P/c1-9(7,8)5-2-4(6)3-5/h4-5H,2-3,6H2,1H3,(H,7,8)
InChIKeyRZAAKJPCLAJRDZ-UHFFFAOYSA-N
XLogP0.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 50.38
H-Bond Donors ≤ 52
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-aminocyclobutyl)-methylphosphinic acid?
The IUPAC name of (3-aminocyclobutyl)-methylphosphinic acid (CID 24895105) is (3-aminocyclobutyl)-methylphosphinic acid.
What is the SMILES notation for (3-aminocyclobutyl)-methylphosphinic acid?
The canonical SMILES for (3-aminocyclobutyl)-methylphosphinic acid is CP(=O)(O)C1CC(N)C1.
What is the InChIKey of (3-aminocyclobutyl)-methylphosphinic acid?
The InChIKey is RZAAKJPCLAJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P/c1-9(7,8)5-2-4(6)3-5/h4-5H,2-3,6H2,1H3,(H,7,8).
What are the key properties of (3-aminocyclobutyl)-methylphosphinic acid?
(3-aminocyclobutyl)-methylphosphinic acid has a molecular weight of 149.13 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-methylphosphinic acid is sourced from PubChem (CID 24895105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).