(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C8H13NO3 — CID 124510159

IUPAC(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@H](C(=O)O)CC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-3-6-5(8(11)12)4-7(10)9(6)2/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6-/m1/s1
InChIKeyFHZIMOUKTTYWFV-PHDIDXHHSA-N
MW171.20 g/mol
LogP0.33
Rot. Bonds2

About (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid

(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 124510159) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID124510159
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@H](C(=O)O)CC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-3-6-5(8(11)12)4-7(10)9(6)2/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6-/m1/s1
InChIKeyFHZIMOUKTTYWFV-PHDIDXHHSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 124510159) is (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid is CC[C@@H]1[C@H](C(=O)O)CC(=O)N1C.
What is the InChIKey of (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FHZIMOUKTTYWFV-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6-5(8(11)12)4-7(10)9(6)2/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124510159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).