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

C12H16N2O4 — CID 124693915

IUPAC(3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)no1
InChIInChI=1S/C12H16N2O4/c1-8-5-9(13-18-8)6-10(15)14-4-3-12(2,7-14)11(16)17/h5H,3-4,6-7H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyQAFMXHWGLALCJA-GFCCVEGCSA-N
MW252.27 g/mol
LogP0.85
Rot. Bonds3

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

(3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 124693915) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID124693915
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)no1
InChIInChI=1S/C12H16N2O4/c1-8-5-9(13-18-8)6-10(15)14-4-3-12(2,7-14)11(16)17/h5H,3-4,6-7H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyQAFMXHWGLALCJA-GFCCVEGCSA-N
XLogP0.85
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 139010136
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 95020300
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354480
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 110836609
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257378
1-[2-(4-bromo-2-methylphenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529334
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
(3S)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698663

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 124693915) is (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1cc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)no1.
What is the InChIKey of (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QAFMXHWGLALCJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-5-9(13-18-8)6-10(15)14-4-3-12(2,7-14)11(16)17/h5H,3-4,6-7H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
(3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124693915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).