[2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid

C12H16NO3P — CID 67450447

IUPAC[2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid
SMILESCCP(=O)(O)c1ccccc1C1(C(N)=O)CC1
InChIInChI=1S/C12H16NO3P/c1-2-17(15,16)10-6-4-3-5-9(10)12(7-8-12)11(13)14/h3-6H,2,7-8H2,1H3,(H2,13,14)(H,15,16)
InChIKeyQRUFKQFREILXSI-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.12
Rot. Bonds4

About [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid

[2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid (PubChem CID 67450447) has the molecular formula C12H16NO3P and a molecular weight of 253.24 g/mol. Its IUPAC name is [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid.

Molecular Properties

Compound Name[2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid
PubChem CID67450447
Molecular FormulaC12H16NO3P
Molecular Weight253.24 g/mol
Exact Mass253.09
IUPAC Name[2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid
SMILESCCP(=O)(O)c1ccccc1C1(C(N)=O)CC1
InChIInChI=1S/C12H16NO3P/c1-2-17(15,16)10-6-4-3-5-9(10)12(7-8-12)11(13)14/h3-6H,2,7-8H2,1H3,(H2,13,14)(H,15,16)
InChIKeyQRUFKQFREILXSI-UHFFFAOYSA-N
XLogP1.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
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 [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid?
The IUPAC name of [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid (CID 67450447) is [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid.
What is the SMILES notation for [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid?
The canonical SMILES for [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid is CCP(=O)(O)c1ccccc1C1(C(N)=O)CC1.
What is the InChIKey of [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid?
The InChIKey is QRUFKQFREILXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO3P/c1-2-17(15,16)10-6-4-3-5-9(10)12(7-8-12)11(13)14/h3-6H,2,7-8H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid?
[2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid has a molecular weight of 253.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-carbamoylcyclopropyl)phenyl]-ethylphosphinic acid is sourced from PubChem (CID 67450447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).