5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H15N3O5 — CID 107426967

IUPAC5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H15N3O5/c1-12-9(15)7-3-2-4-14(7)10(16)8-5-6(11(17)18)13-19-8/h7-8H,2-5H2,1H3,(H,12,15)(H,17,18)
InChIKeyOFTSLZRVTPGVOB-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.05
Rot. Bonds3

About 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426967) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426967
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H15N3O5/c1-12-9(15)7-3-2-4-14(7)10(16)8-5-6(11(17)18)13-19-8/h7-8H,2-5H2,1H3,(H,12,15)(H,17,18)
InChIKeyOFTSLZRVTPGVOB-UHFFFAOYSA-N
XLogP-1.05
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426967) is 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CNC(=O)C1CCCN1C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is OFTSLZRVTPGVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-12-9(15)7-3-2-4-14(7)10(16)8-5-6(11(17)18)13-19-8/h7-8H,2-5H2,1H3,(H,12,15)(H,17,18).
What are the key properties of 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).