1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid

C19H18N2O5 — CID 119354664

IUPAC1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1
InChIInChI=1S/C19H18N2O5/c22-16-9-12-3-1-2-4-15(12)21(16)11-13-6-8-26-17(13)18(23)20-7-5-14(10-20)19(24)25/h1-4,6,8,14H,5,7,9-11H2,(H,24,25)
InChIKeyBHRKTZJARKVSTQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.92
Rot. Bonds4

About 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid

1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354664) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119354664
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1
InChIInChI=1S/C19H18N2O5/c22-16-9-12-3-1-2-4-15(12)21(16)11-13-6-8-26-17(13)18(23)20-7-5-14(10-20)19(24)25/h1-4,6,8,14H,5,7,9-11H2,(H,24,25)
InChIKeyBHRKTZJARKVSTQ-UHFFFAOYSA-N
XLogP1.92
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387
1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119645188
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119622525
1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119593691
(3S)-1-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 120514103
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119475490
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119613936
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120944653
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 119613935

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 119354664) is 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1.
What is the InChIKey of 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BHRKTZJARKVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-16-9-12-3-1-2-4-15(12)21(16)11-13-6-8-26-17(13)18(23)20-7-5-14(10-20)19(24)25/h1-4,6,8,14H,5,7,9-11H2,(H,24,25).
What are the key properties of 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).