(2S,5R)-5-methylpyrrolidine-2-carboxylic acid

C6H11NO2 — CID 6995039

IUPAC(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyYNSYWEFVEIFJPZ-UHNVWZDZSA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds1

About (2S,5R)-5-methylpyrrolidine-2-carboxylic acid

(2S,5R)-5-methylpyrrolidine-2-carboxylic acid (PubChem CID 6995039) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S,5R)-5-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
PubChem CID6995039
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyYNSYWEFVEIFJPZ-UHNVWZDZSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-methylpyrrolidine-2-carboxylic acid (CID 6995039) is (2S,5R)-5-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-methylpyrrolidine-2-carboxylic acid is C[C@@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5R)-5-methylpyrrolidine-2-carboxylic acid?
The InChIKey is YNSYWEFVEIFJPZ-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of (2S,5R)-5-methylpyrrolidine-2-carboxylic acid?
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6995039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).