(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C10H12N2O5 — CID 66335401

IUPAC(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cnoc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H12N2O5/c1-5-3-11-17-8(5)9(14)12-4-6(13)2-7(12)10(15)16/h3,6-7,13H,2,4H2,1H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyXGXGAKRAYZKLKK-RQJHMYQMSA-N
MW240.21 g/mol
LogP-0.36
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 66335401) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID66335401
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cnoc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H12N2O5/c1-5-3-11-17-8(5)9(14)12-4-6(13)2-7(12)10(15)16/h3,6-7,13H,2,4H2,1H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyXGXGAKRAYZKLKK-RQJHMYQMSA-N
XLogP-0.36
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66334626
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151938
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
(2R,4R)-4-hydroxy-1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000895
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107
(2S,4R)-1-(5-ethylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857292
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 66335401) is (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cnoc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XGXGAKRAYZKLKK-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-3-11-17-8(5)9(14)12-4-6(13)2-7(12)10(15)16/h3,6-7,13H,2,4H2,1H3,(H,15,16)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66335401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).