3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid

C10H16NO3P — CID 10059688

IUPAC3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid
SMILESNCCCP(=O)(O)C(O)c1ccccc1
InChIInChI=1S/C10H16NO3P/c11-7-4-8-15(13,14)10(12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2,(H,13,14)
InChIKeyQQRKQWHTJAJGJJ-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.30
Rot. Bonds5

About 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid

3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid (PubChem CID 10059688) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid.

Molecular Properties

Compound Name3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid
PubChem CID10059688
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Name3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid
SMILESNCCCP(=O)(O)C(O)c1ccccc1
InChIInChI=1S/C10H16NO3P/c11-7-4-8-15(13,14)10(12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2,(H,13,14)
InChIKeyQQRKQWHTJAJGJJ-UHFFFAOYSA-N
XLogP1.30
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[3-aminopropyl(hydroxy)phosphoryl]-hydroxymethyl]anilino]acetic acid;carbon dioxide
CID 158454387
(3-amino-1-phenylpropyl)-butylphosphinic acid
CID 67375391
dimethylphosphoryl(phenyl)methanol
CID 58658737
(3-amino-1-phenylpropyl)-ethylphosphinic acid
CID 46216560
3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
CID 6602756
bis[(R)-hydroxy(phenyl)methyl]phosphinate
CID 51394422
[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
CID 3784616
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
diphenylmethanamine;phosphoric acid
CID 67153031
(5-amino-5-phenylpentyl)phosphonic acid
CID 138720768
3-[2-cyanoethyl-[hydroxy(phenyl)methyl]phosphoryl]propanenitrile
CID 23280679

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid?
The IUPAC name of 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid (CID 10059688) is 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid.
What is the SMILES notation for 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid?
The canonical SMILES for 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid is NCCCP(=O)(O)C(O)c1ccccc1.
What is the InChIKey of 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid?
The InChIKey is QQRKQWHTJAJGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c11-7-4-8-15(13,14)10(12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2,(H,13,14).
What are the key properties of 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid?
3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid has a molecular weight of 229.22 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid is sourced from PubChem (CID 10059688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).