(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid

C7H13NO4 — CID 88652438

IUPAC(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCN1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C7H13NO4/c1-12-4-8-3-5(9)2-6(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyUTGFXFVBJRMYGH-RITPCOANSA-N
MW175.18 g/mol
LogP-0.89
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 88652438) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID88652438
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCN1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C7H13NO4/c1-12-4-8-3-5(9)2-6(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyUTGFXFVBJRMYGH-RITPCOANSA-N
XLogP-0.89
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
1-(3-chloro-2-methylprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106439330
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61428576
1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351292
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S)-4-hydroxy-1-(3-methoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61196712

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid (CID 88652438) is (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid is COCN1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UTGFXFVBJRMYGH-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO4/c1-12-4-8-3-5(9)2-6(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 88652438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).