3-[ethyl(hydroxy)phosphoryl]propanoic acid

C5H11O4P — CID 19011064

IUPAC3-[ethyl(hydroxy)phosphoryl]propanoic acid
SMILESCCP(=O)(O)CCC(=O)O
InChIInChI=1S/C5H11O4P/c1-2-10(8,9)4-3-5(6)7/h2-4H2,1H3,(H,6,7)(H,8,9)
InChIKeyNTECLNXJUWYYGM-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.75
Rot. Bonds4

About 3-[ethyl(hydroxy)phosphoryl]propanoic acid

3-[ethyl(hydroxy)phosphoryl]propanoic acid (PubChem CID 19011064) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 3-[ethyl(hydroxy)phosphoryl]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(hydroxy)phosphoryl]propanoic acid
PubChem CID19011064
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name3-[ethyl(hydroxy)phosphoryl]propanoic acid
SMILESCCP(=O)(O)CCC(=O)O
InChIInChI=1S/C5H11O4P/c1-2-10(8,9)4-3-5(6)7/h2-4H2,1H3,(H,6,7)(H,8,9)
InChIKeyNTECLNXJUWYYGM-UHFFFAOYSA-N
XLogP0.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.75
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

3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
diethylphosphinic acid
CID 123698390
3-[[4-[[ethyl(hydroxy)phosphoryl]methyl]-7-[[hydroxy-(4-methyl-3-oxopentyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoic acid
CID 171418638
3-phosphonopropanoic acid;zirconium
CID 88720720
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
barium(2+);ethyl(propyl)phosphinic acid;hydride
CID 174823068
ethyl(2-oxopentyl)phosphinic acid
CID 118026065
bis(diethylphosphinic acid);zinc
CID 91997271
gadolinium(3+);3-[hydroxy-[[4,7,10-tris[[2-carboxyethyl(hydroxy)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphoryl]propanoic acid
CID 71466549
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;dihydrochloride
CID 173423767

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(hydroxy)phosphoryl]propanoic acid?
The IUPAC name of 3-[ethyl(hydroxy)phosphoryl]propanoic acid (CID 19011064) is 3-[ethyl(hydroxy)phosphoryl]propanoic acid.
What is the SMILES notation for 3-[ethyl(hydroxy)phosphoryl]propanoic acid?
The canonical SMILES for 3-[ethyl(hydroxy)phosphoryl]propanoic acid is CCP(=O)(O)CCC(=O)O.
What is the InChIKey of 3-[ethyl(hydroxy)phosphoryl]propanoic acid?
The InChIKey is NTECLNXJUWYYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-2-10(8,9)4-3-5(6)7/h2-4H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 3-[ethyl(hydroxy)phosphoryl]propanoic acid?
3-[ethyl(hydroxy)phosphoryl]propanoic acid has a molecular weight of 166.11 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(hydroxy)phosphoryl]propanoic acid is sourced from PubChem (CID 19011064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).