(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid

C8H15NO4 — CID 166681264

IUPAC(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
SMILESCO[C@@H]1CC(C(C)O)N(C(=O)O)C1
InChIInChI=1S/C8H15NO4/c1-5(10)7-3-6(13-2)4-9(7)8(11)12/h5-7,10H,3-4H2,1-2H3,(H,11,12)/t5?,6-,7?/m1/s1
InChIKeyLTXLZQOTVJLSFG-YURFNIAASA-N
MW189.21 g/mol
LogP0.13
Rot. Bonds2

About (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid

(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid (PubChem CID 166681264) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
PubChem CID166681264
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
SMILESCO[C@@H]1CC(C(C)O)N(C(=O)O)C1
InChIInChI=1S/C8H15NO4/c1-5(10)7-3-6(13-2)4-9(7)8(11)12/h5-7,10H,3-4H2,1-2H3,(H,11,12)/t5?,6-,7?/m1/s1
InChIKeyLTXLZQOTVJLSFG-YURFNIAASA-N
XLogP0.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 21251523
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 154005523
(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
CID 134282102
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 174342667
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
2-hydroxy-5-methoxypiperidine-1-carboxylic acid
CID 151000753
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
CID 159274236
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid?
The IUPAC name of (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid (CID 166681264) is (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid is CO[C@@H]1CC(C(C)O)N(C(=O)O)C1.
What is the InChIKey of (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid?
The InChIKey is LTXLZQOTVJLSFG-YURFNIAASA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(10)7-3-6(13-2)4-9(7)8(11)12/h5-7,10H,3-4H2,1-2H3,(H,11,12)/t5?,6-,7?/m1/s1.
What are the key properties of (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid?
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166681264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).