[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid

C4H10NO4P — CID 91281628

IUPAC[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid
SMILESO=P(O)(O)[C@]1(O)CCNC1
InChIInChI=1S/C4H10NO4P/c6-4(10(7,8)9)1-2-5-3-4/h5-6H,1-3H2,(H2,7,8,9)/t4-/m1/s1
InChIKeyRMLNXRUDQYWFDP-SCSAIBSYSA-N
MW167.10 g/mol
LogP-1.15
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid

[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid (PubChem CID 91281628) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid
PubChem CID91281628
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Name[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid
SMILESO=P(O)(O)[C@]1(O)CCNC1
InChIInChI=1S/C4H10NO4P/c6-4(10(7,8)9)1-2-5-3-4/h5-6H,1-3H2,(H2,7,8,9)/t4-/m1/s1
InChIKeyRMLNXRUDQYWFDP-SCSAIBSYSA-N
XLogP-1.15
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 ≤ 5-1.15
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 [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid (CID 91281628) is [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid is O=P(O)(O)[C@]1(O)CCNC1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid?
The InChIKey is RMLNXRUDQYWFDP-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10NO4P/c6-4(10(7,8)9)1-2-5-3-4/h5-6H,1-3H2,(H2,7,8,9)/t4-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid?
[(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid has a molecular weight of 167.10 g/mol, XLogP of -1.15, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-3-yl]phosphonic acid is sourced from PubChem (CID 91281628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).