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

C9H15NO3 — CID 124510189

IUPAC(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@H](C(=O)O)CC(=O)N1CC
InChIInChI=1S/C9H15NO3/c1-3-7-6(9(12)13)5-8(11)10(7)4-2/h6-7H,3-5H2,1-2H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyOYCROGFBILPTDO-RNFRBKRXSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds3

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

(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 124510189) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID124510189
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@H](C(=O)O)CC(=O)N1CC
InChIInChI=1S/C9H15NO3/c1-3-7-6(9(12)13)5-8(11)10(7)4-2/h6-7H,3-5H2,1-2H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyOYCROGFBILPTDO-RNFRBKRXSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid (CID 124510189) is (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid is CC[C@@H]1[C@H](C(=O)O)CC(=O)N1CC.
What is the InChIKey of (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OYCROGFBILPTDO-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7-6(9(12)13)5-8(11)10(7)4-2/h6-7H,3-5H2,1-2H3,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid?
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124510189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).