ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid

C13H20NO5P — CID 89155670

IUPACethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESCCOP(=O)(O)CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20NO5P/c1-2-19-20(16,17)10-6-9-14-13(15)18-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15)(H,16,17)
InChIKeyMABDZUBNRUNMSI-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.52
Rot. Bonds8

About ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid

ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid (PubChem CID 89155670) has the molecular formula C13H20NO5P and a molecular weight of 301.28 g/mol. Its IUPAC name is ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
PubChem CID89155670
Molecular FormulaC13H20NO5P
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Nameethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESCCOP(=O)(O)CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20NO5P/c1-2-19-20(16,17)10-6-9-14-13(15)18-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15)(H,16,17)
InChIKeyMABDZUBNRUNMSI-UHFFFAOYSA-N
XLogP2.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 19090857
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl-[2-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11659997
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
ethyl (2S)-2-[[phenoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphoryl]amino]propanoate
CID 71121798
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 58058033
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The IUPAC name of ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid (CID 89155670) is ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid.
What is the SMILES notation for ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The canonical SMILES for ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid is CCOP(=O)(O)CCCNC(=O)OCc1ccccc1.
What is the InChIKey of ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The InChIKey is MABDZUBNRUNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO5P/c1-2-19-20(16,17)10-6-9-14-13(15)18-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15)(H,16,17).
What are the key properties of ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid has a molecular weight of 301.28 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid is sourced from PubChem (CID 89155670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).