(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate

C8H12NO4- — CID 7061674

IUPAC(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOCCN1C[C@H](C(=O)[O-])CC1=O
InChIInChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/p-1/t6-/m1/s1
InChIKeySQFXUCKQOKOBLC-ZCFIWIBFSA-M
MW186.19 g/mol
LogP-1.77
Rot. Bonds4

About (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate

(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7061674) has the molecular formula C8H12NO4- and a molecular weight of 186.19 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7061674
Molecular FormulaC8H12NO4-
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOCCN1C[C@H](C(=O)[O-])CC1=O
InChIInChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/p-1/t6-/m1/s1
InChIKeySQFXUCKQOKOBLC-ZCFIWIBFSA-M
XLogP-1.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate (CID 7061674) is (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate is COCCN1C[C@H](C(=O)[O-])CC1=O.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SQFXUCKQOKOBLC-ZCFIWIBFSA-M. The full InChI is InChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/p-1/t6-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate?
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 186.19 g/mol, XLogP of -1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).