(3R)-1-methylpyrrolidine-3-carboxylic acid

C6H11NO2 — CID 36688378

IUPAC(3R)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyLJGFIWDOHOWUOY-RXMQYKEDSA-N
MW129.16 g/mol
LogP0.02
Rot. Bonds1

About (3R)-1-methylpyrrolidine-3-carboxylic acid

(3R)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 36688378) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3R)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID36688378
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3R)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyLJGFIWDOHOWUOY-RXMQYKEDSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-methylpyrrolidine-3-carboxylic acid (CID 36688378) is (3R)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-methylpyrrolidine-3-carboxylic acid is CN1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LJGFIWDOHOWUOY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-1-methylpyrrolidine-3-carboxylic acid?
(3R)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 36688378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).