(1-amino-3-phenylpropyl)phosphonic acid

C9H14NO3P — CID 11127644

IUPAC(1-amino-3-phenylpropyl)phosphonic acid
SMILESNC(CCc1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
InChIKeyNAPHUBPIUWHFCT-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.08
Rot. Bonds4

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

(1-amino-3-phenylpropyl)phosphonic acid (PubChem CID 11127644) has the molecular formula C9H14NO3P and a molecular weight of 215.19 g/mol. Its IUPAC name is (1-amino-3-phenylpropyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-3-phenylpropyl)phosphonic acid
PubChem CID11127644
Molecular FormulaC9H14NO3P
Molecular Weight215.19 g/mol
Exact Mass215.07
IUPAC Name(1-amino-3-phenylpropyl)phosphonic acid
SMILESNC(CCc1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
InChIKeyNAPHUBPIUWHFCT-UHFFFAOYSA-N
XLogP1.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-phenylpropyl)phosphonic acid?
The IUPAC name of (1-amino-3-phenylpropyl)phosphonic acid (CID 11127644) is (1-amino-3-phenylpropyl)phosphonic acid.
What is the SMILES notation for (1-amino-3-phenylpropyl)phosphonic acid?
The canonical SMILES for (1-amino-3-phenylpropyl)phosphonic acid is NC(CCc1ccccc1)P(=O)(O)O.
What is the InChIKey of (1-amino-3-phenylpropyl)phosphonic acid?
The InChIKey is NAPHUBPIUWHFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13).
What are the key properties of (1-amino-3-phenylpropyl)phosphonic acid?
(1-amino-3-phenylpropyl)phosphonic acid has a molecular weight of 215.19 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-phenylpropyl)phosphonic acid is sourced from PubChem (CID 11127644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).