5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C15H18N2O5 — CID 120822593

IUPAC5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CC(=O)N(C3CC3)C2)cc1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-2-11-10(15(20)21)6-12(22-11)14(19)16-8-5-13(18)17(7-8)9-3-4-9/h6,8-9H,2-5,7H2,1H3,(H,16,19)(H,20,21)
InChIKeyLPOVYVFNEHCRCT-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.03
Rot. Bonds5

About 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822593) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822593
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CC(=O)N(C3CC3)C2)cc1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-2-11-10(15(20)21)6-12(22-11)14(19)16-8-5-13(18)17(7-8)9-3-4-9/h6,8-9H,2-5,7H2,1H3,(H,16,19)(H,20,21)
InChIKeyLPOVYVFNEHCRCT-UHFFFAOYSA-N
XLogP1.03
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 95969243
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822495
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822323
4-[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122005360
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822593) is 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NC2CC(=O)N(C3CC3)C2)cc1C(=O)O.
What is the InChIKey of 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is LPOVYVFNEHCRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-2-11-10(15(20)21)6-12(22-11)14(19)16-8-5-13(18)17(7-8)9-3-4-9/h6,8-9H,2-5,7H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).