5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid

C17H17NO4 — CID 120550364

IUPAC5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
SMILESCC1CC(c2ccccc2)CN1C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C17H17NO4/c1-11-7-13(12-5-3-2-4-6-12)9-18(11)16(19)15-8-14(10-22-15)17(20)21/h2-6,8,10-11,13H,7,9H2,1H3,(H,20,21)
InChIKeySAUAFGSJELBMEA-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.00
Rot. Bonds3

About 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid

5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 120550364) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
PubChem CID120550364
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
SMILESCC1CC(c2ccccc2)CN1C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C17H17NO4/c1-11-7-13(12-5-3-2-4-6-12)9-18(11)16(19)15-8-14(10-22-15)17(20)21/h2-6,8,10-11,13H,7,9H2,1H3,(H,20,21)
InChIKeySAUAFGSJELBMEA-UHFFFAOYSA-N
XLogP3.00
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120822598
5-(3,5-dimethylpiperidine-1-carbonyl)furan-3-carboxylic acid
CID 104607104
5-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)furan-3-carboxylic acid
CID 102885555
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 114539304
4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
CID 104607589
3-[(3R,5S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]benzoic acid
CID 125457017
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid (CID 120550364) is 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid is CC1CC(c2ccccc2)CN1C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is SAUAFGSJELBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-7-13(12-5-3-2-4-6-12)9-18(11)16(19)15-8-14(10-22-15)17(20)21/h2-6,8,10-11,13H,7,9H2,1H3,(H,20,21).
What are the key properties of 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120550364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).