2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C8H15NO4 — CID 107877422

IUPAC2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCCO)N1CCC[C@@H]1CO
InChIInChI=1S/C8H15NO4/c10-4-5-13-8(12)9-3-1-2-7(9)6-11/h7,10-11H,1-6H2/t7-/m1/s1
InChIKeyPTVPNDGBIOLOCC-SSDOTTSWSA-N
MW189.21 g/mol
LogP-0.43
Rot. Bonds3

About 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 107877422) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID107877422
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCCO)N1CCC[C@@H]1CO
InChIInChI=1S/C8H15NO4/c10-4-5-13-8(12)9-3-1-2-7(9)6-11/h7,10-11H,1-6H2/t7-/m1/s1
InChIKeyPTVPNDGBIOLOCC-SSDOTTSWSA-N
XLogP-0.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 107877422) is 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is O=C(OCCO)N1CCC[C@@H]1CO.
What is the InChIKey of 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is PTVPNDGBIOLOCC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-5-13-8(12)9-3-1-2-7(9)6-11/h7,10-11H,1-6H2/t7-/m1/s1.
What are the key properties of 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 189.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107877422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).