(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide

C24H35F2N3O5 — CID 57403403

IUPAC(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O
InChIInChI=1S/C24H35F2N3O5/c1-3-4-21(31)18-5-6-29(24(18)34)13(2)23(33)28-20(22(32)19-11-17(30)12-27-19)9-14-7-15(25)10-16(26)8-14/h7-8,10,13,17-22,27,30-32H,3-6,9,11-12H2,1-2H3,(H,28,33)/t13-,17-,18+,19+,20-,21+,22+/m0/s1
InChIKeyZETIFIIPHSQINF-PMBRNAONSA-N
MW483.56 g/mol
LogP0.47
Rot. Bonds10

About (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide

(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 57403403) has the molecular formula C24H35F2N3O5 and a molecular weight of 483.56 g/mol. Its IUPAC name is (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID57403403
Molecular FormulaC24H35F2N3O5
Molecular Weight483.56 g/mol
Exact Mass483.25
IUPAC Name(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O
InChIInChI=1S/C24H35F2N3O5/c1-3-4-21(31)18-5-6-29(24(18)34)13(2)23(33)28-20(22(32)19-11-17(30)12-27-19)9-14-7-15(25)10-16(26)8-14/h7-8,10,13,17-22,27,30-32H,3-6,9,11-12H2,1-2H3,(H,28,33)/t13-,17-,18+,19+,20-,21+,22+/m0/s1
InChIKeyZETIFIIPHSQINF-PMBRNAONSA-N
XLogP0.47
TPSA122.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 50.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide (CID 57403403) is (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide is CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O.
What is the InChIKey of (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is ZETIFIIPHSQINF-PMBRNAONSA-N. The full InChI is InChI=1S/C24H35F2N3O5/c1-3-4-21(31)18-5-6-29(24(18)34)13(2)23(33)28-20(22(32)19-11-17(30)12-27-19)9-14-7-15(25)10-16(26)8-14/h7-8,10,13,17-22,27,30-32H,3-6,9,11-12H2,1-2H3,(H,28,33)/t13-,17-,18+,19+,20-,21+,22+/m0/s1.
What are the key properties of (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide?
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 483.56 g/mol, XLogP of 0.47, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 57403403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).