(2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide

C24H39N3O6S — CID 122626395

IUPAC(2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC=CCCC(C)C[C@@H](C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C
InChIInChI=1S/C24H39N3O6S/c1-5-6-7-15(2)10-16(3)11-21(29)27-14-18(28)12-20(27)22(30)25-24(13-17(24)4)23(31)26-34(32,33)19-8-9-19/h5,15-20,28H,1,6-14H2,2-4H3,(H,25,30)(H,26,31)/t15?,16-,17-,18-,20+,24-/m1/s1
InChIKeyWDDZANNYXZCUMV-BAALIHJPSA-N
MW497.66 g/mol
LogP1.47
Rot. Bonds12

About (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 122626395) has the molecular formula C24H39N3O6S and a molecular weight of 497.66 g/mol. Its IUPAC name is (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID122626395
Molecular FormulaC24H39N3O6S
Molecular Weight497.66 g/mol
Exact Mass497.26
IUPAC Name(2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC=CCCC(C)C[C@@H](C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C
InChIInChI=1S/C24H39N3O6S/c1-5-6-7-15(2)10-16(3)11-21(29)27-14-18(28)12-20(27)22(30)25-24(13-17(24)4)23(31)26-34(32,33)19-8-9-19/h5,15-20,28H,1,6-14H2,2-4H3,(H,25,30)(H,26,31)/t15?,16-,17-,18-,20+,24-/m1/s1
InChIKeyWDDZANNYXZCUMV-BAALIHJPSA-N
XLogP1.47
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-3,3-dimethylbutanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 23571456
tert-butyl (3S)-3-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
CID 90206788
cyclopentyl (3S)-3-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
CID 157148782
(2S,4R)-1-[(2S)-2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoyl]-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 58593769
(2S,4R)-N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-hydroxy-1-[(3S)-3-pent-4-enoxypentanoyl]pyrrolidine-2-carboxamide
CID 90121290
butyl N-[(2S,3R)-1-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3,5-dimethyl-1-oxonon-8-en-2-yl]carbamate
CID 131743952
methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate
CID 123889214
tert-butyl N-[1-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 123511979
(2S,4R)-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-methoxy-1-(3-methylpentanoyl)-4-(4-phenylphenyl)pyrrolidine-2-carboxamide
CID 70300449
1-(2-cyclopentylacetyl)-N-[(1S,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carboxamide
CID 25141983
N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 23595529
(2S,4R)-2-[[(1S,2R)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 90874771

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 122626395) is (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide is C=CCCC(C)C[C@@H](C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C.
What is the InChIKey of (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is WDDZANNYXZCUMV-BAALIHJPSA-N. The full InChI is InChI=1S/C24H39N3O6S/c1-5-6-7-15(2)10-16(3)11-21(29)27-14-18(28)12-20(27)22(30)25-24(13-17(24)4)23(31)26-34(32,33)19-8-9-19/h5,15-20,28H,1,6-14H2,2-4H3,(H,25,30)(H,26,31)/t15?,16-,17-,18-,20+,24-/m1/s1.
What are the key properties of (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 1.47, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]-1-[(3R)-3,5-dimethylnon-8-enoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 122626395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).