2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid

C20H22N2O5 — CID 119226741

IUPAC2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)cc1C(=O)O
InChIInChI=1S/C20H22N2O5/c1-12(14-6-4-3-5-7-14)22-11-15(8-18(22)23)19(24)21-10-16-9-17(20(25)26)13(2)27-16/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,21,24)(H,25,26)
InChIKeySQRWGUYSWDYNHA-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.51
Rot. Bonds6

About 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119226741) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119226741
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)cc1C(=O)O
InChIInChI=1S/C20H22N2O5/c1-12(14-6-4-3-5-7-14)22-11-15(8-18(22)23)19(24)21-10-16-9-17(20(25)26)13(2)27-16/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,21,24)(H,25,26)
InChIKeySQRWGUYSWDYNHA-UHFFFAOYSA-N
XLogP2.51
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

(3R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 94172181
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 120945493
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
5-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226436
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9465248
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95134283
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide
CID 166231533
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 26002894
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 119226741) is 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is SQRWGUYSWDYNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(14-6-4-3-5-7-14)22-11-15(8-18(22)23)19(24)21-10-16-9-17(20(25)26)13(2)27-16/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).