[(2R)-2-hydroxypyrrolidin-2-yl]methanediol

C5H11NO3 — CID 166710865

IUPAC[(2R)-2-hydroxypyrrolidin-2-yl]methanediol
SMILESOC(O)[C@]1(O)CCCN1
InChIInChI=1S/C5H11NO3/c7-4(8)5(9)2-1-3-6-5/h4,6-9H,1-3H2/t5-/m1/s1
InChIKeyQAWICECJFQNSCO-RXMQYKEDSA-N
MW133.15 g/mol
LogP-1.63
Rot. Bonds1

About [(2R)-2-hydroxypyrrolidin-2-yl]methanediol

[(2R)-2-hydroxypyrrolidin-2-yl]methanediol (PubChem CID 166710865) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is [(2R)-2-hydroxypyrrolidin-2-yl]methanediol.

Molecular Properties

Compound Name[(2R)-2-hydroxypyrrolidin-2-yl]methanediol
PubChem CID166710865
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name[(2R)-2-hydroxypyrrolidin-2-yl]methanediol
SMILESOC(O)[C@]1(O)CCCN1
InChIInChI=1S/C5H11NO3/c7-4(8)5(9)2-1-3-6-5/h4,6-9H,1-3H2/t5-/m1/s1
InChIKeyQAWICECJFQNSCO-RXMQYKEDSA-N
XLogP-1.63
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypyrrolidin-2-yl]methanediol?
The IUPAC name of [(2R)-2-hydroxypyrrolidin-2-yl]methanediol (CID 166710865) is [(2R)-2-hydroxypyrrolidin-2-yl]methanediol.
What is the SMILES notation for [(2R)-2-hydroxypyrrolidin-2-yl]methanediol?
The canonical SMILES for [(2R)-2-hydroxypyrrolidin-2-yl]methanediol is OC(O)[C@]1(O)CCCN1.
What is the InChIKey of [(2R)-2-hydroxypyrrolidin-2-yl]methanediol?
The InChIKey is QAWICECJFQNSCO-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO3/c7-4(8)5(9)2-1-3-6-5/h4,6-9H,1-3H2/t5-/m1/s1.
What are the key properties of [(2R)-2-hydroxypyrrolidin-2-yl]methanediol?
[(2R)-2-hydroxypyrrolidin-2-yl]methanediol has a molecular weight of 133.15 g/mol, XLogP of -1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxypyrrolidin-2-yl]methanediol is sourced from PubChem (CID 166710865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).