(2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide

C19H26FN3O — CID 66997395

IUPAC(2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
SMILESCc1cccc(N2C[C@H]3CC[C@H](N4C[C@H](F)C[C@H]4C(N)=O)[C@H]3C2)c1
InChIInChI=1S/C19H26FN3O/c1-12-3-2-4-15(7-12)22-9-13-5-6-17(16(13)11-22)23-10-14(20)8-18(23)19(21)24/h2-4,7,13-14,16-18H,5-6,8-11H2,1H3,(H2,21,24)/t13-,14-,16+,17+,18+/m1/s1
InChIKeyFGVCWBGSFHAMTC-SSGTUYFUSA-N
MW331.43 g/mol
LogP2.11
Rot. Bonds3

About (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 66997395) has the molecular formula C19H26FN3O and a molecular weight of 331.43 g/mol. Its IUPAC name is (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID66997395
Molecular FormulaC19H26FN3O
Molecular Weight331.43 g/mol
Exact Mass331.21
IUPAC Name(2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
SMILESCc1cccc(N2C[C@H]3CC[C@H](N4C[C@H](F)C[C@H]4C(N)=O)[C@H]3C2)c1
InChIInChI=1S/C19H26FN3O/c1-12-3-2-4-15(7-12)22-9-13-5-6-17(16(13)11-22)23-10-14(20)8-18(23)19(21)24/h2-4,7,13-14,16-18H,5-6,8-11H2,1H3,(H2,21,24)/t13-,14-,16+,17+,18+/m1/s1
InChIKeyFGVCWBGSFHAMTC-SSGTUYFUSA-N
XLogP2.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 66997608
(2S,4S)-1-[(3aR,4S,6aS)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 66997546
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
3-(3-methylphenyl)-3,6-diazabicyclo[3.1.1]heptane
CID 84770848
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
(2R,3aS,7aR)-1-(3-methylbenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 95756993
(2S,4R)-N-[(3aR,4S,6aS)-2-(4-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 66997479
N-cyclopropyl-5-methyl-1-(3-methylphenyl)piperidin-3-amine
CID 83991728
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide (CID 66997395) is (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide is Cc1cccc(N2C[C@H]3CC[C@H](N4C[C@H](F)C[C@H]4C(N)=O)[C@H]3C2)c1.
What is the InChIKey of (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is FGVCWBGSFHAMTC-SSGTUYFUSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-12-3-2-4-15(7-12)22-9-13-5-6-17(16(13)11-22)23-10-14(20)8-18(23)19(21)24/h2-4,7,13-14,16-18H,5-6,8-11H2,1H3,(H2,21,24)/t13-,14-,16+,17+,18+/m1/s1.
What are the key properties of (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(3aR,4S,6aS)-2-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 66997395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).