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

C6H9NO3 — CID 12968917

IUPAC(2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC(=O)N[C@H]1C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-2-4(8)7-5(3)6(9)10/h3,5H,2H2,1H3,(H,7,8)(H,9,10)/t3-,5-/m1/s1
InChIKeyHPCPEJXLESDEDM-NQXXGFSBSA-N
MW143.14 g/mol
LogP-0.40
Rot. Bonds1

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

(2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 12968917) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID12968917
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC(=O)N[C@H]1C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-2-4(8)7-5(3)6(9)10/h3,5H,2H2,1H3,(H,7,8)(H,9,10)/t3-,5-/m1/s1
InChIKeyHPCPEJXLESDEDM-NQXXGFSBSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 12968917) is (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is C[C@@H]1CC(=O)N[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is HPCPEJXLESDEDM-NQXXGFSBSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-2-4(8)7-5(3)6(9)10/h3,5H,2H2,1H3,(H,7,8)(H,9,10)/t3-,5-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
(2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12968917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).