(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H14N2O4 — CID 28777862

IUPAC(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)10(14)13-5-3-4-8(13)11(15)16/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyHPZJZLKCCHZWDT-MRVPVSSYSA-N
MW238.24 g/mol
LogP0.98
Rot. Bonds2

About (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28777862) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28777862
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)10(14)13-5-3-4-8(13)11(15)16/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyHPZJZLKCCHZWDT-MRVPVSSYSA-N
XLogP0.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(3,5-dimethyl-1,2-oxazole-4-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-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421096
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209975
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053347
(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 79034665
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
CID 15324304
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120976569

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 28777862) is (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1noc(C)c1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HPZJZLKCCHZWDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)10(14)13-5-3-4-8(13)11(15)16/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28777862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).