(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid

C11H14N2O6 — CID 79000771

IUPAC(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(OCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)no1
InChIInChI=1S/C11H14N2O6/c1-6-2-9(12-19-6)18-5-10(15)13-4-7(14)3-8(13)11(16)17/h2,7-8,14H,3-5H2,1H3,(H,16,17)/t7-,8-/m1/s1
InChIKeyXSDGEJFYMNNVKP-HTQZYQBOSA-N
MW270.24 g/mol
LogP-0.59
Rot. Bonds4

About (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 79000771) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID79000771
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(OCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)no1
InChIInChI=1S/C11H14N2O6/c1-6-2-9(12-19-6)18-5-10(15)13-4-7(14)3-8(13)11(16)17/h2,7-8,14H,3-5H2,1H3,(H,16,17)/t7-,8-/m1/s1
InChIKeyXSDGEJFYMNNVKP-HTQZYQBOSA-N
XLogP-0.59
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
CID 114427323
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
CID 106741827
2-[1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]azetidin-3-yl]acetic acid
CID 64603184
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857293
1-[2-(2-chloro-5-methylphenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171340
methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
CID 115280103
(2S)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 61153100
(2S,4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 63855651
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390
1-[2-(3-chlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356795

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid (CID 79000771) is (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid is Cc1cc(OCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)no1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XSDGEJFYMNNVKP-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-6-2-9(12-19-6)18-5-10(15)13-4-7(14)3-8(13)11(16)17/h2,7-8,14H,3-5H2,1H3,(H,16,17)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).