4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate

C19H17N2O6- — CID 6973834

IUPAC4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O6/c22-16(8-9-18(24)25)20(12-14-7-4-10-27-14)15-11-17(23)21(19(15)26)13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,24,25)/p-1/t15-/m0/s1
InChIKeyQAUDJDKFRZAOIO-HNNXBMFYSA-M
MW369.35 g/mol
LogP0.47
Rot. Bonds7

About 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate

4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate (PubChem CID 6973834) has the molecular formula C19H17N2O6- and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
PubChem CID6973834
Molecular FormulaC19H17N2O6-
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O6/c22-16(8-9-18(24)25)20(12-14-7-4-10-27-14)15-11-17(23)21(19(15)26)13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,24,25)/p-1/t15-/m0/s1
InChIKeyQAUDJDKFRZAOIO-HNNXBMFYSA-M
XLogP0.47
TPSA110.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoic acid
CID 4676004
N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1109163
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2866571
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23915164
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1-(furan-2-ylmethyl)-3-methylthiourea
CID 2869060
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 25036334

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate?
The IUPAC name of 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate (CID 6973834) is 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate.
What is the SMILES notation for 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate?
The canonical SMILES for 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate is O=C([O-])CCC(=O)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate?
The InChIKey is QAUDJDKFRZAOIO-HNNXBMFYSA-M. The full InChI is InChI=1S/C19H18N2O6/c22-16(8-9-18(24)25)20(12-14-7-4-10-27-14)15-11-17(23)21(19(15)26)13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,24,25)/p-1/t15-/m0/s1.
What are the key properties of 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate?
4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate has a molecular weight of 369.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 6973834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).