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

C8H13NO5 — CID 170367502

IUPAC(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](OCC(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C8H13NO5/c1-9-3-5(14-4-7(10)11)2-6(9)8(12)13/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKeyPJYSIVSFPYZCIS-WDSKDSINSA-N
MW203.19 g/mol
LogP-0.76
Rot. Bonds4

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

(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 170367502) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
PubChem CID170367502
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](OCC(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C8H13NO5/c1-9-3-5(14-4-7(10)11)2-6(9)8(12)13/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKeyPJYSIVSFPYZCIS-WDSKDSINSA-N
XLogP-0.76
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid
CID 154536862
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
(2S)-4-acetyloxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67766306
(2S,4S)-1-methyl-4-phenoxypyrrolidine-2-carboxylic acid
CID 58778842
(2S,4R)-1-methyl-4-(3-phenylmethoxypropoxy)pyrrolidine-2-carboxylic acid
CID 59906891
(2S,4R)-1-methyl-4-methylsulfanylcarbothioyloxypyrrolidine-2-carboxylic acid
CID 89433448
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
CID 121230981
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid (CID 170367502) is (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid is CN1C[C@@H](OCC(=O)O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PJYSIVSFPYZCIS-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13NO5/c1-9-3-5(14-4-7(10)11)2-6(9)8(12)13/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 170367502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).