(2S)-1-methylpyrrolidine-2-carboxylic acid

C6H11NO2 — CID 643474

IUPAC(2S)-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyCWLQUGTUXBXTLF-YFKPBYRVSA-N
MW129.16 g/mol
LogP0.17
Rot. Bonds1

About (2S)-1-methylpyrrolidine-2-carboxylic acid

(2S)-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 643474) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-methylpyrrolidine-2-carboxylic acid
PubChem CID643474
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyCWLQUGTUXBXTLF-YFKPBYRVSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-methylpyrrolidine-2-carboxylic acid (CID 643474) is (2S)-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-methylpyrrolidine-2-carboxylic acid is CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CWLQUGTUXBXTLF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-1-methylpyrrolidine-2-carboxylic acid?
(2S)-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 643474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).