[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid

C4H10NO4P — CID 91019033

IUPAC[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C4H10NO4P/c6-3-1-4(5-2-3)10(7,8)9/h3-6H,1-2H2,(H2,7,8,9)/t3-,4-/m1/s1
InChIKeyVXFOAMZWHIQQRW-QWWZWVQMSA-N
MW167.10 g/mol
LogP-1.16
Rot. Bonds1

About [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid

[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid (PubChem CID 91019033) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid
PubChem CID91019033
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C4H10NO4P/c6-3-1-4(5-2-3)10(7,8)9/h3-6H,1-2H2,(H2,7,8,9)/t3-,4-/m1/s1
InChIKeyVXFOAMZWHIQQRW-QWWZWVQMSA-N
XLogP-1.16
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid?
The IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid (CID 91019033) is [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid.
What is the SMILES notation for [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid?
The canonical SMILES for [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid is O=P(O)(O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid?
The InChIKey is VXFOAMZWHIQQRW-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10NO4P/c6-3-1-4(5-2-3)10(7,8)9/h3-6H,1-2H2,(H2,7,8,9)/t3-,4-/m1/s1.
What are the key properties of [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid?
[(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid has a molecular weight of 167.10 g/mol, XLogP of -1.16, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxypyrrolidin-2-yl]phosphonic acid is sourced from PubChem (CID 91019033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).