(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid

C18H27NO7Si — CID 10739581

IUPAC(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C=O)[C@H]([Si](C)(C)C)[C@@H](C=O)[C@@H]1C(=O)O
InChIInChI=1S/C18H27NO7Si/c1-26-18(25)12-6-5-7-19(12)16(22)13-10(8-20)15(27(2,3)4)11(9-21)14(13)17(23)24/h8-15H,5-7H2,1-4H3,(H,23,24)/t10-,11+,12+,13-,14+,15+/m1/s1
InChIKeyCTVZOWONVHZSRY-GHRCFYLDSA-N
MW397.50 g/mol
LogP0.82
Rot. Bonds6

About (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid

(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid (PubChem CID 10739581) has the molecular formula C18H27NO7Si and a molecular weight of 397.50 g/mol. Its IUPAC name is (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid
PubChem CID10739581
Molecular FormulaC18H27NO7Si
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C=O)[C@H]([Si](C)(C)C)[C@@H](C=O)[C@@H]1C(=O)O
InChIInChI=1S/C18H27NO7Si/c1-26-18(25)12-6-5-7-19(12)16(22)13-10(8-20)15(27(2,3)4)11(9-21)14(13)17(23)24/h8-15H,5-7H2,1-4H3,(H,23,24)/t10-,11+,12+,13-,14+,15+/m1/s1
InChIKeyCTVZOWONVHZSRY-GHRCFYLDSA-N
XLogP0.82
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid with MolForge

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Related Compounds

methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2S)-1-[(1R,2R,4R,7R,8S,9S,10S)-2-hydroxy-6-oxo-9-trimethylsilyl-3,5-dioxatricyclo[5.2.1.04,8]decane-10-carbonyl]pyrrolidine-2-carboxylate
CID 177417646
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
(E)-4-(2-methoxycarbonylpyrrolidin-1-yl)-4-oxobut-2-enoic acid
CID 60953999
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid (CID 10739581) is (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid is COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C=O)[C@H]([Si](C)(C)C)[C@@H](C=O)[C@@H]1C(=O)O.
What is the InChIKey of (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid?
The InChIKey is CTVZOWONVHZSRY-GHRCFYLDSA-N. The full InChI is InChI=1S/C18H27NO7Si/c1-26-18(25)12-6-5-7-19(12)16(22)13-10(8-20)15(27(2,3)4)11(9-21)14(13)17(23)24/h8-15H,5-7H2,1-4H3,(H,23,24)/t10-,11+,12+,13-,14+,15+/m1/s1.
What are the key properties of (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid?
(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid has a molecular weight of 397.50 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 10739581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).