3-aminopropyl(methyl)phosphinic acid

C4H12NO2P — CID 5230

IUPAC3-aminopropyl(methyl)phosphinic acid
SMILESCP(=O)(O)CCCN
InChIInChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKeyNHVRIDDXGZPJTJ-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.24
Rot. Bonds3

About 3-aminopropyl(methyl)phosphinic acid

3-aminopropyl(methyl)phosphinic acid (PubChem CID 5230) has the molecular formula C4H12NO2P and a molecular weight of 137.12 g/mol. Its IUPAC name is 3-aminopropyl(methyl)phosphinic acid.

Molecular Properties

Compound Name3-aminopropyl(methyl)phosphinic acid
PubChem CID5230
Molecular FormulaC4H12NO2P
Molecular Weight137.12 g/mol
Exact Mass137.06
IUPAC Name3-aminopropyl(methyl)phosphinic acid
SMILESCP(=O)(O)CCCN
InChIInChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKeyNHVRIDDXGZPJTJ-UHFFFAOYSA-N
XLogP0.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Aminopropyl)(n-butyl)phosphinic acid
CID 130021
(2-Aminoethyl)phosphonic acid
CID 339
Hydrogen (2-azaniumylethyl)phosphonate
CID 5245507
3-Aminopropylphosphonic acid
CID 97587
Ampropylfos
CID 178368
1-Aminobutylphosphonic acid
CID 272986
1-(Aminoethyl)phosphonic acid
CID 97709
(3-Aminopropyl)phosphonate
CID 4868255
3-Aminopropyl(hexyl)phosphinic acid
CID 130023
3-Appa
CID 6335948
(3-Amino-2-fluoropropyl)(methyl)phosphinic Acid
CID 9815253
(2R)-(3-Amino-2-fluoropropyl)(methyl)phosphinic Acid
CID 9968986

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(methyl)phosphinic acid?
The IUPAC name of 3-aminopropyl(methyl)phosphinic acid (CID 5230) is 3-aminopropyl(methyl)phosphinic acid.
What is the SMILES notation for 3-aminopropyl(methyl)phosphinic acid?
The canonical SMILES for 3-aminopropyl(methyl)phosphinic acid is CP(=O)(O)CCCN.
What is the InChIKey of 3-aminopropyl(methyl)phosphinic acid?
The InChIKey is NHVRIDDXGZPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7).
What are the key properties of 3-aminopropyl(methyl)phosphinic acid?
3-aminopropyl(methyl)phosphinic acid has a molecular weight of 137.12 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(methyl)phosphinic acid is sourced from PubChem (CID 5230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).