(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H12N2O5 — CID 28778296

IUPAC(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)no1
InChIInChI=1S/C10H12N2O5/c1-5-2-7(11-17-5)9(14)12-4-6(13)3-8(12)10(15)16/h2,6,8,13H,3-4H2,1H3,(H,15,16)/t6-,8-/m0/s1
InChIKeyIENSWWVYYZVBCG-XPUUQOCRSA-N
MW240.21 g/mol
LogP-0.36
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28778296) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28778296
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)no1
InChIInChI=1S/C10H12N2O5/c1-5-2-7(11-17-5)9(14)12-4-6(13)3-8(12)10(15)16/h2,6,8,13H,3-4H2,1H3,(H,15,16)/t6-,8-/m0/s1
InChIKeyIENSWWVYYZVBCG-XPUUQOCRSA-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

Analyze (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171398
(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
CID 79000771
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
(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
(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66335401
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(3S)-2-(5-methyl-1,2-oxazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 28779024
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
(2S,4R)-1-(3,6-dimethylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113439181
(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214873
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 28778296) is (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)no1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IENSWWVYYZVBCG-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-2-7(11-17-5)9(14)12-4-6(13)3-8(12)10(15)16/h2,6,8,13H,3-4H2,1H3,(H,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-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,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28778296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).