4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid

C13H18N2O4 — CID 66236357

IUPAC4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCn1cccc1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-15-6-4-5-10(15)12(16)14(2)11-8-19-7-9(11)13(17)18/h4-6,9,11H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyJHPZGUNFTOTYBI-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.68
Rot. Bonds4

About 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236357) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66236357
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCn1cccc1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-15-6-4-5-10(15)12(16)14(2)11-8-19-7-9(11)13(17)18/h4-6,9,11H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyJHPZGUNFTOTYBI-UHFFFAOYSA-N
XLogP0.68
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 114608959
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[methyl-(1-methyl-5-nitropyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235723
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 107971541
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502
4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238377

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66236357) is 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid is CCn1cccc1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is JHPZGUNFTOTYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-15-6-4-5-10(15)12(16)14(2)11-8-19-7-9(11)13(17)18/h4-6,9,11H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).