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

C15H22N2O4 — CID 66251268

IUPAC4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cccn1CC)C1COCC1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-7-17(13-10-21-9-11(13)15(19)20)14(18)12-6-5-8-16(12)4-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyARYJEKZLQPTNAV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds6

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

4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66251268) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66251268
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cccn1CC)C1COCC1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-7-17(13-10-21-9-11(13)15(19)20)14(18)12-6-5-8-16(12)4-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyARYJEKZLQPTNAV-UHFFFAOYSA-N
XLogP1.46
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236357
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 155996445
4-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 114608959
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
CID 61232091
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid (CID 66251268) is 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)c1cccn1CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is ARYJEKZLQPTNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-7-17(13-10-21-9-11(13)15(19)20)14(18)12-6-5-8-16(12)4-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.46, 6 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)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).