1-(1-hydroxyethyl)pyrrolidine-2,3-diol

C6H13NO3 — CID 18962855

IUPAC1-(1-hydroxyethyl)pyrrolidine-2,3-diol
SMILESCC(O)N1CCC(O)C1O
InChIInChI=1S/C6H13NO3/c1-4(8)7-3-2-5(9)6(7)10/h4-6,8-10H,2-3H2,1H3
InChIKeyFKTJCZINZQYHDI-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.29
Rot. Bonds1

About 1-(1-hydroxyethyl)pyrrolidine-2,3-diol

1-(1-hydroxyethyl)pyrrolidine-2,3-diol (PubChem CID 18962855) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)pyrrolidine-2,3-diol.

Molecular Properties

Compound Name1-(1-hydroxyethyl)pyrrolidine-2,3-diol
PubChem CID18962855
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-(1-hydroxyethyl)pyrrolidine-2,3-diol
SMILESCC(O)N1CCC(O)C1O
InChIInChI=1S/C6H13NO3/c1-4(8)7-3-2-5(9)6(7)10/h4-6,8-10H,2-3H2,1H3
InChIKeyFKTJCZINZQYHDI-UHFFFAOYSA-N
XLogP-1.29
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)pyrrolidine-2,3-diol?
The IUPAC name of 1-(1-hydroxyethyl)pyrrolidine-2,3-diol (CID 18962855) is 1-(1-hydroxyethyl)pyrrolidine-2,3-diol.
What is the SMILES notation for 1-(1-hydroxyethyl)pyrrolidine-2,3-diol?
The canonical SMILES for 1-(1-hydroxyethyl)pyrrolidine-2,3-diol is CC(O)N1CCC(O)C1O.
What is the InChIKey of 1-(1-hydroxyethyl)pyrrolidine-2,3-diol?
The InChIKey is FKTJCZINZQYHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)7-3-2-5(9)6(7)10/h4-6,8-10H,2-3H2,1H3.
What are the key properties of 1-(1-hydroxyethyl)pyrrolidine-2,3-diol?
1-(1-hydroxyethyl)pyrrolidine-2,3-diol has a molecular weight of 147.17 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)pyrrolidine-2,3-diol is sourced from PubChem (CID 18962855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).