aminomethyl(3-hydroxypropoxy)phosphinic acid

C4H12NO4P — CID 154247476

IUPACaminomethyl(3-hydroxypropoxy)phosphinic acid
SMILESNCP(=O)(O)OCCCO
InChIInChI=1S/C4H12NO4P/c5-4-10(7,8)9-3-1-2-6/h6H,1-5H2,(H,7,8)
InChIKeyINQMTAMIYKPILA-UHFFFAOYSA-N
MW169.12 g/mol
LogP-0.51
Rot. Bonds5

About aminomethyl(3-hydroxypropoxy)phosphinic acid

aminomethyl(3-hydroxypropoxy)phosphinic acid (PubChem CID 154247476) has the molecular formula C4H12NO4P and a molecular weight of 169.12 g/mol. Its IUPAC name is aminomethyl(3-hydroxypropoxy)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl(3-hydroxypropoxy)phosphinic acid
PubChem CID154247476
Molecular FormulaC4H12NO4P
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Nameaminomethyl(3-hydroxypropoxy)phosphinic acid
SMILESNCP(=O)(O)OCCCO
InChIInChI=1S/C4H12NO4P/c5-4-10(7,8)9-3-1-2-6/h6H,1-5H2,(H,7,8)
InChIKeyINQMTAMIYKPILA-UHFFFAOYSA-N
XLogP-0.51
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
chloro 3-hydroxypropyl hydrogen phosphate
CID 87143466
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
aminomethyl(hydroperoxy)phosphinic acid
CID 142766787
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
CID 152706719
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
4-difluorophosphoryloxybutan-1-ol
CID 178182563
3-hydroxypropyl 2-aminoacetate;hydrochloride
CID 174791685
butyl(decoxy)phosphinic acid
CID 139947140
hexyl(pentoxy)phosphinic acid
CID 139947056

Frequently Asked Questions

What is the IUPAC name of aminomethyl(3-hydroxypropoxy)phosphinic acid?
The IUPAC name of aminomethyl(3-hydroxypropoxy)phosphinic acid (CID 154247476) is aminomethyl(3-hydroxypropoxy)phosphinic acid.
What is the SMILES notation for aminomethyl(3-hydroxypropoxy)phosphinic acid?
The canonical SMILES for aminomethyl(3-hydroxypropoxy)phosphinic acid is NCP(=O)(O)OCCCO.
What is the InChIKey of aminomethyl(3-hydroxypropoxy)phosphinic acid?
The InChIKey is INQMTAMIYKPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO4P/c5-4-10(7,8)9-3-1-2-6/h6H,1-5H2,(H,7,8).
What are the key properties of aminomethyl(3-hydroxypropoxy)phosphinic acid?
aminomethyl(3-hydroxypropoxy)phosphinic acid has a molecular weight of 169.12 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(3-hydroxypropoxy)phosphinic acid is sourced from PubChem (CID 154247476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).