(2R,3R)-2-methylpyrrolidine-3-carboxylic acid

C6H11NO2 — CID 10887930

IUPAC(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
SMILESC[C@H]1NCC[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2/c1-4-5(6(8)9)2-3-7-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKeySGNKGPSXXFQUHT-RFZPGFLSSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds1

About (2R,3R)-2-methylpyrrolidine-3-carboxylic acid

(2R,3R)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 10887930) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R,3R)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID10887930
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
SMILESC[C@H]1NCC[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2/c1-4-5(6(8)9)2-3-7-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKeySGNKGPSXXFQUHT-RFZPGFLSSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79389026
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692
2-methylazetidine-3-carboxylic acid
CID 21293290
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid
CID 95993864
1-(2-methylpyrrolidine-3-carbonyl)azepane-2-carboxylic acid
CID 79385119
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methylpyrrolidine-3-carboxylic acid (CID 10887930) is (2R,3R)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methylpyrrolidine-3-carboxylic acid is C[C@H]1NCC[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SGNKGPSXXFQUHT-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(6(8)9)2-3-7-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-2-methylpyrrolidine-3-carboxylic acid?
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 10887930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).