N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C20H26FN3O2 — CID 72844195

IUPACN-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)N[C@H]1CN(Cc2ccccc2F)C[C@@H]1C1CC1
InChIInChI=1S/C20H26FN3O2/c21-17-5-2-1-4-15(17)10-23-11-16(14-7-8-14)18(12-23)22-19(25)13-24-9-3-6-20(24)26/h1-2,4-5,14,16,18H,3,6-13H2,(H,22,25)/t16-,18+/m1/s1
InChIKeyGFCHFBSFJDRYRL-AEFFLSMTSA-N
MW359.45 g/mol
LogP1.77
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 72844195) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID72844195
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)N[C@H]1CN(Cc2ccccc2F)C[C@@H]1C1CC1
InChIInChI=1S/C20H26FN3O2/c21-17-5-2-1-4-15(17)10-23-11-16(14-7-8-14)18(12-23)22-19(25)13-24-9-3-6-20(24)26/h1-2,4-5,14,16,18H,3,6-13H2,(H,22,25)/t16-,18+/m1/s1
InChIKeyGFCHFBSFJDRYRL-AEFFLSMTSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
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BN-201
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(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Smac peptido-mimetic 1
CID 11200722
2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 16223559
2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 16226605
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(3,5-difluorobenzyl)propionamide
CID 11717268
5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646016
2-{[(3S,5S)-5-{[(3R)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646023
2-{[(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646024

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 72844195) is N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)N[C@H]1CN(Cc2ccccc2F)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GFCHFBSFJDRYRL-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-17-5-2-1-4-15(17)10-23-11-16(14-7-8-14)18(12-23)22-19(25)13-24-9-3-6-20(24)26/h1-2,4-5,14,16,18H,3,6-13H2,(H,22,25)/t16-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 72844195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).