(3-amino-3-cyanopropyl)-methylphosphinate

C5H10N2O2P- — CID 153493873

IUPAC(3-amino-3-cyanopropyl)-methylphosphinate
SMILESCP(=O)([O-])CCC(N)C#N
InChIInChI=1S/C5H11N2O2P/c1-10(8,9)3-2-5(7)4-6/h5H,2-3,7H2,1H3,(H,8,9)/p-1
InChIKeyBDMISUULIUNJPJ-UHFFFAOYSA-M
MW161.12 g/mol
LogP-0.50
Rot. Bonds3

About (3-amino-3-cyanopropyl)-methylphosphinate

(3-amino-3-cyanopropyl)-methylphosphinate (PubChem CID 153493873) has the molecular formula C5H10N2O2P- and a molecular weight of 161.12 g/mol. Its IUPAC name is (3-amino-3-cyanopropyl)-methylphosphinate.

Molecular Properties

Compound Name(3-amino-3-cyanopropyl)-methylphosphinate
PubChem CID153493873
Molecular FormulaC5H10N2O2P-
Molecular Weight161.12 g/mol
Exact Mass161.05
IUPAC Name(3-amino-3-cyanopropyl)-methylphosphinate
SMILESCP(=O)([O-])CCC(N)C#N
InChIInChI=1S/C5H11N2O2P/c1-10(8,9)3-2-5(7)4-6/h5H,2-3,7H2,1H3,(H,8,9)/p-1
InChIKeyBDMISUULIUNJPJ-UHFFFAOYSA-M
XLogP-0.50
TPSA89.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-3-cyanopropyl)-methylphosphinate?
The IUPAC name of (3-amino-3-cyanopropyl)-methylphosphinate (CID 153493873) is (3-amino-3-cyanopropyl)-methylphosphinate.
What is the SMILES notation for (3-amino-3-cyanopropyl)-methylphosphinate?
The canonical SMILES for (3-amino-3-cyanopropyl)-methylphosphinate is CP(=O)([O-])CCC(N)C#N.
What is the InChIKey of (3-amino-3-cyanopropyl)-methylphosphinate?
The InChIKey is BDMISUULIUNJPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N2O2P/c1-10(8,9)3-2-5(7)4-6/h5H,2-3,7H2,1H3,(H,8,9)/p-1.
What are the key properties of (3-amino-3-cyanopropyl)-methylphosphinate?
(3-amino-3-cyanopropyl)-methylphosphinate has a molecular weight of 161.12 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-cyanopropyl)-methylphosphinate is sourced from PubChem (CID 153493873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).