2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride

C6H14ClNO4 — CID 73001219

IUPAC2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
SMILESCl.OCC1NC(CO)C(O)C1O
InChIInChI=1S/C6H13NO4.ClH/c8-1-3-5(10)6(11)4(2-9)7-3;/h3-11H,1-2H2;1H
InChIKeyASOISZHLRDHELT-UHFFFAOYSA-N
MW199.63 g/mol
LogP-2.55
Rot. Bonds2

About 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride

2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride (PubChem CID 73001219) has the molecular formula C6H14ClNO4 and a molecular weight of 199.63 g/mol. Its IUPAC name is 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
PubChem CID73001219
Molecular FormulaC6H14ClNO4
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
SMILESCl.OCC1NC(CO)C(O)C1O
InChIInChI=1S/C6H13NO4.ClH/c8-1-3-5(10)6(11)4(2-9)7-3;/h3-11H,1-2H2;1H
InChIKeyASOISZHLRDHELT-UHFFFAOYSA-N
XLogP-2.55
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 5-2.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
The IUPAC name of 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride (CID 73001219) is 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride.
What is the SMILES notation for 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
The canonical SMILES for 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride is Cl.OCC1NC(CO)C(O)C1O.
What is the InChIKey of 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
The InChIKey is ASOISZHLRDHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.ClH/c8-1-3-5(10)6(11)4(2-9)7-3;/h3-11H,1-2H2;1H.
What are the key properties of 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride has a molecular weight of 199.63 g/mol, XLogP of -2.55, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride is sourced from PubChem (CID 73001219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).