3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid

C13H16N2O4 — CID 64888657

IUPAC3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cccn1C1CC1
InChIInChI=1S/C13H16N2O4/c16-11(10-2-1-6-15(10)9-3-4-9)14-13(12(17)18)5-7-19-8-13/h1-2,6,9H,3-5,7-8H2,(H,14,16)(H,17,18)
InChIKeyMCWJFLPZVKYPHP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.80
Rot. Bonds4

About 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid

3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888657) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64888657
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cccn1C1CC1
InChIInChI=1S/C13H16N2O4/c16-11(10-2-1-6-15(10)9-3-4-9)14-13(12(17)18)5-7-19-8-13/h1-2,6,9H,3-5,7-8H2,(H,14,16)(H,17,18)
InChIKeyMCWJFLPZVKYPHP-UHFFFAOYSA-N
XLogP0.80
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 64888657) is 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cccn1C1CC1.
What is the InChIKey of 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MCWJFLPZVKYPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11(10-2-1-6-15(10)9-3-4-9)14-13(12(17)18)5-7-19-8-13/h1-2,6,9H,3-5,7-8H2,(H,14,16)(H,17,18).
What are the key properties of 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).