2-[hydroxy(propyl)phosphoryl]propanoic acid

C6H13O4P — CID 46239174

IUPAC2-[hydroxy(propyl)phosphoryl]propanoic acid
SMILESCCCP(=O)(O)C(C)C(=O)O
InChIInChI=1S/C6H13O4P/c1-3-4-11(9,10)5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyFOKJFAKPOACKAS-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.14
Rot. Bonds4

About 2-[hydroxy(propyl)phosphoryl]propanoic acid

2-[hydroxy(propyl)phosphoryl]propanoic acid (PubChem CID 46239174) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-[hydroxy(propyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Name2-[hydroxy(propyl)phosphoryl]propanoic acid
PubChem CID46239174
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-[hydroxy(propyl)phosphoryl]propanoic acid
SMILESCCCP(=O)(O)C(C)C(=O)O
InChIInChI=1S/C6H13O4P/c1-3-4-11(9,10)5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyFOKJFAKPOACKAS-UHFFFAOYSA-N
XLogP1.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.14
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-hydroxyiminobutan-2-yl(propyl)phosphinic acid
CID 169084784
butan-2-yl(propyl)phosphinic acid
CID 87395468
[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
CID 58756569
2-phosphonopropanoic acid;3-phosphonopropanoic acid
CID 161192791
[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid
CID 87190737
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
2-[ethoxy(methyl)phosphoryl]propanoic acid
CID 87306109
3-[hydroxy(pentyl)phosphoryl]-2-methylpropanoic acid
CID 87093840
methyl(propyl)phosphinic acid
CID 10992780
3-[hydroxy(1-hydroxyethyl)phosphoryl]-2-methylpropanoic acid
CID 87093824
propylphosphonamidic acid
CID 22250964
3-[hydroxy(2-methylpentyl)phosphoryl]-2-methylpropanoic acid
CID 54512413

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(propyl)phosphoryl]propanoic acid?
The IUPAC name of 2-[hydroxy(propyl)phosphoryl]propanoic acid (CID 46239174) is 2-[hydroxy(propyl)phosphoryl]propanoic acid.
What is the SMILES notation for 2-[hydroxy(propyl)phosphoryl]propanoic acid?
The canonical SMILES for 2-[hydroxy(propyl)phosphoryl]propanoic acid is CCCP(=O)(O)C(C)C(=O)O.
What is the InChIKey of 2-[hydroxy(propyl)phosphoryl]propanoic acid?
The InChIKey is FOKJFAKPOACKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-3-4-11(9,10)5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2-[hydroxy(propyl)phosphoryl]propanoic acid?
2-[hydroxy(propyl)phosphoryl]propanoic acid has a molecular weight of 180.14 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(propyl)phosphoryl]propanoic acid is sourced from PubChem (CID 46239174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).