(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide

C20H29FN2O5Si — CID 23786953

IUPAC(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCO)[C@H]([Si](C)(C)F)[C@H]1C)C(=O)N2C
InChIInChI=1S/C20H29FN2O5Si/c1-11-17(29(4,5)21)16(8-9-24)28-20(11)14-10-13(22-18(26)12(2)25)6-7-15(14)23(3)19(20)27/h6-7,10-12,16-17,24-25H,8-9H2,1-5H3,(H,22,26)/t11-,12+,16+,17-,20+/m1/s1
InChIKeyGJINVZVUGUXERJ-BGUKZKQHSA-N
MW424.55 g/mol
LogP2.14
Rot. Bonds5

About (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide

(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide (PubChem CID 23786953) has the molecular formula C20H29FN2O5Si and a molecular weight of 424.55 g/mol. Its IUPAC name is (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
PubChem CID23786953
Molecular FormulaC20H29FN2O5Si
Molecular Weight424.55 g/mol
Exact Mass424.18
IUPAC Name(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCO)[C@H]([Si](C)(C)F)[C@H]1C)C(=O)N2C
InChIInChI=1S/C20H29FN2O5Si/c1-11-17(29(4,5)21)16(8-9-24)28-20(11)14-10-13(22-18(26)12(2)25)6-7-15(14)23(3)19(20)27/h6-7,10-12,16-17,24-25H,8-9H2,1-5H3,(H,22,26)/t11-,12+,16+,17-,20+/m1/s1
InChIKeyGJINVZVUGUXERJ-BGUKZKQHSA-N
XLogP2.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23786848
(2S)-N-[(3S,3'S,4'R,5'S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23815891
(2S)-N-[(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23844401
(2S)-2-hydroxy-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide
CID 23928506
(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide
CID 23900531
(2S)-N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-1-[[3-[[(2S)-2-hydroxypropanoyl]amino]phenyl]methyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23758463
(2R)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
CID 23757422
N-[(3R,3'R,4'S,5'R)-1-[(3-benzamidophenyl)methyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
CID 23872876
4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-[(4-aminobenzoyl)amino]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
CID 23872873
(2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23844373
(2R)-N-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
CID 23815536
N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide
CID 23976276

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide (CID 23786953) is (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide is C[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCO)[C@H]([Si](C)(C)F)[C@H]1C)C(=O)N2C.
What is the InChIKey of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
The InChIKey is GJINVZVUGUXERJ-BGUKZKQHSA-N. The full InChI is InChI=1S/C20H29FN2O5Si/c1-11-17(29(4,5)21)16(8-9-24)28-20(11)14-10-13(22-18(26)12(2)25)6-7-15(14)23(3)19(20)27/h6-7,10-12,16-17,24-25H,8-9H2,1-5H3,(H,22,26)/t11-,12+,16+,17-,20+/m1/s1.
What are the key properties of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide has a molecular weight of 424.55 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide is sourced from PubChem (CID 23786953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).