(4-hydroxypyrrolidin-2-yl)methanediol

C5H11NO3 — CID 21301392

IUPAC(4-hydroxypyrrolidin-2-yl)methanediol
SMILESOC1CNC(C(O)O)C1
InChIInChI=1S/C5H11NO3/c7-3-1-4(5(8)9)6-2-3/h3-9H,1-2H2
InChIKeyBGQKPABURYNDAD-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.98
Rot. Bonds1

About (4-hydroxypyrrolidin-2-yl)methanediol

(4-hydroxypyrrolidin-2-yl)methanediol (PubChem CID 21301392) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)methanediol.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)methanediol
PubChem CID21301392
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(4-hydroxypyrrolidin-2-yl)methanediol
SMILESOC1CNC(C(O)O)C1
InChIInChI=1S/C5H11NO3/c7-3-1-4(5(8)9)6-2-3/h3-9H,1-2H2
InChIKeyBGQKPABURYNDAD-UHFFFAOYSA-N
XLogP-1.98
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 ≤ 5-1.98
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 (4-hydroxypyrrolidin-2-yl)methanediol?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)methanediol (CID 21301392) is (4-hydroxypyrrolidin-2-yl)methanediol.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)methanediol?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)methanediol is OC1CNC(C(O)O)C1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)methanediol?
The InChIKey is BGQKPABURYNDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-3-1-4(5(8)9)6-2-3/h3-9H,1-2H2.
What are the key properties of (4-hydroxypyrrolidin-2-yl)methanediol?
(4-hydroxypyrrolidin-2-yl)methanediol has a molecular weight of 133.15 g/mol, XLogP of -1.98, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)methanediol is sourced from PubChem (CID 21301392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).