(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid

C13H20N2O6 — CID 79000621

IUPAC(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN1CC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1=O
InChIInChI=1S/C13H20N2O6/c1-21-3-2-14-6-8(4-11(14)17)12(18)15-7-9(16)5-10(15)13(19)20/h8-10,16H,2-7H2,1H3,(H,19,20)/t8?,9-,10-/m1/s1
InChIKeyAIRVYXAIDCAOQG-VXRWAFEHSA-N
MW300.31 g/mol
LogP-1.47
Rot. Bonds5

About (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 79000621) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID79000621
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN1CC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1=O
InChIInChI=1S/C13H20N2O6/c1-21-3-2-14-6-8(4-11(14)17)12(18)15-7-9(16)5-10(15)13(19)20/h8-10,16H,2-7H2,1H3,(H,19,20)/t8?,9-,10-/m1/s1
InChIKeyAIRVYXAIDCAOQG-VXRWAFEHSA-N
XLogP-1.47
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001063
(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841632
(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61152370
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844018
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
N-cyclopropyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43577188
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 79000621) is (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid is COCCN1CC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1=O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AIRVYXAIDCAOQG-VXRWAFEHSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-21-3-2-14-6-8(4-11(14)17)12(18)15-7-9(16)5-10(15)13(19)20/h8-10,16H,2-7H2,1H3,(H,19,20)/t8?,9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of -1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).