(3-amino-1-phenylpropyl)-ethylphosphinic acid

C11H18NO2P — CID 46216560

IUPAC(3-amino-1-phenylpropyl)-ethylphosphinic acid
SMILESCCP(=O)(O)C(CCN)c1ccccc1
InChIInChI=1S/C11H18NO2P/c1-2-15(13,14)11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3,(H,13,14)
InChIKeyQNQYTLZKQSNXEZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.37
Rot. Bonds5

About (3-amino-1-phenylpropyl)-ethylphosphinic acid

(3-amino-1-phenylpropyl)-ethylphosphinic acid (PubChem CID 46216560) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is (3-amino-1-phenylpropyl)-ethylphosphinic acid.

Molecular Properties

Compound Name(3-amino-1-phenylpropyl)-ethylphosphinic acid
PubChem CID46216560
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name(3-amino-1-phenylpropyl)-ethylphosphinic acid
SMILESCCP(=O)(O)C(CCN)c1ccccc1
InChIInChI=1S/C11H18NO2P/c1-2-15(13,14)11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3,(H,13,14)
InChIKeyQNQYTLZKQSNXEZ-UHFFFAOYSA-N
XLogP2.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.37
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-amino-1-phenylpropyl)-butylphosphinic acid
CID 67375391
ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium
CID 86657313
3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid
CID 10059688
[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
CID 23660289
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
dimethylphosphoryl(phenyl)methanol
CID 58658737
(2-chloro-1-phenylethyl)phosphonic acid
CID 172736254
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
[4-[ethyl(hydroxy)amino]-4-oxo-1-phenylbutyl]phosphonic acid
CID 54758042
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
diphenylmethanamine;phosphoric acid
CID 67153031

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-phenylpropyl)-ethylphosphinic acid?
The IUPAC name of (3-amino-1-phenylpropyl)-ethylphosphinic acid (CID 46216560) is (3-amino-1-phenylpropyl)-ethylphosphinic acid.
What is the SMILES notation for (3-amino-1-phenylpropyl)-ethylphosphinic acid?
The canonical SMILES for (3-amino-1-phenylpropyl)-ethylphosphinic acid is CCP(=O)(O)C(CCN)c1ccccc1.
What is the InChIKey of (3-amino-1-phenylpropyl)-ethylphosphinic acid?
The InChIKey is QNQYTLZKQSNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-2-15(13,14)11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3,(H,13,14).
What are the key properties of (3-amino-1-phenylpropyl)-ethylphosphinic acid?
(3-amino-1-phenylpropyl)-ethylphosphinic acid has a molecular weight of 227.24 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-phenylpropyl)-ethylphosphinic acid is sourced from PubChem (CID 46216560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).