(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium

C9H13NO2P+ — CID 15591254

IUPAC(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
SMILESNC(Cc1ccccc1)C[P+](=O)O
InChIInChI=1S/C9H12NO2P/c10-9(7-13(11)12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2/p+1
InChIKeyJBJVPQLKWFFKJS-UHFFFAOYSA-O
MW198.18 g/mol
LogP1.29
Rot. Bonds4

About (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium

(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium (PubChem CID 15591254) has the molecular formula C9H13NO2P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
PubChem CID15591254
Molecular FormulaC9H13NO2P+
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
SMILESNC(Cc1ccccc1)C[P+](=O)O
InChIInChI=1S/C9H12NO2P/c10-9(7-13(11)12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2/p+1
InChIKeyJBJVPQLKWFFKJS-UHFFFAOYSA-O
XLogP1.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.29
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

(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
CID 159490168
1,4-diphenylbutan-2-amine
CID 60820174
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764
ethene;3-phenylpropane-1,2-diamine
CID 175295695
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
(2-amino-3-phenylpropyl)urea
CID 137464572
5-amino-6-phenylhexan-2-one
CID 90094782

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
The IUPAC name of (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium (CID 15591254) is (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
The canonical SMILES for (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium is NC(Cc1ccccc1)C[P+](=O)O.
What is the InChIKey of (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
The InChIKey is JBJVPQLKWFFKJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12NO2P/c10-9(7-13(11)12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2/p+1.
What are the key properties of (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium?
(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium has a molecular weight of 198.18 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylpropyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 15591254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).