(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid

C8H15NO3 — CID 121230981

IUPAC(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
SMILESCOC[C@H]1C[C@@H](C(=O)O)N(C)C1
InChIInChI=1S/C8H15NO3/c1-9-4-6(5-12-2)3-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyJLZGIPXBQUXMJJ-BQBZGAKWSA-N
MW173.21 g/mol
LogP0.04
Rot. Bonds3

About (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid

(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 121230981) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
PubChem CID121230981
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
SMILESCOC[C@H]1C[C@@H](C(=O)O)N(C)C1
InChIInChI=1S/C8H15NO3/c1-9-4-6(5-12-2)3-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyJLZGIPXBQUXMJJ-BQBZGAKWSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166638370
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
(2R)-4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 67681529
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(2S,4S)-1-methyl-4-(oxan-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 167711509
ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 144977158
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
CID 169199201
(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
CID 170367502

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid (CID 121230981) is (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid is COC[C@H]1C[C@@H](C(=O)O)N(C)C1.
What is the InChIKey of (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JLZGIPXBQUXMJJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-4-6(5-12-2)3-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 121230981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).