(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid

C13H18N2O4 — CID 124690967

IUPAC(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1[C@@H](C)C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-7(11-8(2)14-19-9(11)3)12(16)15-5-4-10(6-15)13(17)18/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10-/m1/s1
InChIKeyVMABQPLHGGQBDY-GMSGAONNSA-N
MW266.30 g/mol
LogP1.33
Rot. Bonds3

About (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 124690967) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID124690967
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1[C@@H](C)C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-7(11-8(2)14-19-9(11)3)12(16)15-5-4-10(6-15)13(17)18/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10-/m1/s1
InChIKeyVMABQPLHGGQBDY-GMSGAONNSA-N
XLogP1.33
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81118238
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95737246
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95761478
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124694132
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 124570591
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95329043
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 75469070
1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
CID 78961619
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(hydroxymethyl)-4-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 102562013

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 124690967) is (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid is Cc1noc(C)c1[C@@H](C)C(=O)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VMABQPLHGGQBDY-GMSGAONNSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7(11-8(2)14-19-9(11)3)12(16)15-5-4-10(6-15)13(17)18/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124690967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).