(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid

C10H16O6 — CID 24813508

IUPAC(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
SMILESCOCO[C@@H]1C[C@H](C(=O)OC)[C@H](C(=O)O)C1
InChIInChI=1S/C10H16O6/c1-14-5-16-6-3-7(9(11)12)8(4-6)10(13)15-2/h6-8H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m0/s1
InChIKeyLROVKSPUZVTROT-RNJXMRFFSA-N
MW232.23 g/mol
LogP0.26
Rot. Bonds5

About (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid

(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid (PubChem CID 24813508) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
PubChem CID24813508
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
SMILESCOCO[C@@H]1C[C@H](C(=O)OC)[C@H](C(=O)O)C1
InChIInChI=1S/C10H16O6/c1-14-5-16-6-3-7(9(11)12)8(4-6)10(13)15-2/h6-8H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m0/s1
InChIKeyLROVKSPUZVTROT-RNJXMRFFSA-N
XLogP0.26
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-cyclopentane-1,2-dicarboxylic acid, dimethyl ester
CID 560100
methyl 2-[(1S,2R,4S)-4-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate
CID 18652277
(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 16724578
(1R,2R,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813509
methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813510
dimethyl (1S,2S,3R)-3-hydroxycyclopentane-1,2-dicarboxylate
CID 101513831
(1s,2r,3s,5r)-5-(2,2-Dimethoxyethyl)-3-hydroxy-2-methylcyclopentanecarboxylic acid methyl ester
CID 102320023
trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid
CID 135037953
methyl (1S,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135037971
Cyclopentane, 1-(R)-acetyl-2-(S)-carboxymethyl-4-(R)-(2-methoxyethoxymethoxy)-
CID 547954
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504
dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate
CID 14489533

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid (CID 24813508) is (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid is COCO[C@@H]1C[C@H](C(=O)OC)[C@H](C(=O)O)C1.
What is the InChIKey of (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is LROVKSPUZVTROT-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H16O6/c1-14-5-16-6-3-7(9(11)12)8(4-6)10(13)15-2/h6-8H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m0/s1.
What are the key properties of (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 24813508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).