5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid

C19H20N2O5 — CID 167826538

IUPAC5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2CC(=O)N(CCc3ccccc3)C2)o1
InChIInChI=1S/C19H20N2O5/c22-17-10-14(12-21(17)9-8-13-4-2-1-3-5-13)11-20-18(23)15-6-7-16(26-15)19(24)25/h1-7,14H,8-12H2,(H,20,23)(H,24,25)
InChIKeyBBBBFCQWMUZPGG-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.80
Rot. Bonds7

About 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid

5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid (PubChem CID 167826538) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
PubChem CID167826538
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2CC(=O)N(CCc3ccccc3)C2)o1
InChIInChI=1S/C19H20N2O5/c22-17-10-14(12-21(17)9-8-13-4-2-1-3-5-13)11-20-18(23)15-6-7-16(26-15)19(24)25/h1-7,14H,8-12H2,(H,20,23)(H,24,25)
InChIKeyBBBBFCQWMUZPGG-UHFFFAOYSA-N
XLogP1.80
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97082046
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
(1R,2S,4R)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129434820
(1R,2R,4R)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378537
2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
1-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 96541027
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 96535343
1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea
CID 166234843

Frequently Asked Questions

What is the IUPAC name of 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid (CID 167826538) is 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCC2CC(=O)N(CCc3ccccc3)C2)o1.
What is the InChIKey of 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is BBBBFCQWMUZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17-10-14(12-21(17)9-8-13-4-2-1-3-5-13)11-20-18(23)15-6-7-16(26-15)19(24)25/h1-7,14H,8-12H2,(H,20,23)(H,24,25).
What are the key properties of 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 167826538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).