trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid

C9H14O6 — CID 135037953

IUPACtrans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid
SMILESCOCOC1C[C@@H](C(=O)O)[C@H](C(=O)O)C1
InChIInChI=1S/C9H14O6/c1-14-4-15-5-2-6(8(10)11)7(3-5)9(12)13/h5-7H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1
InChIKeyAOAIPRJBTWVDII-RNFRBKRXSA-N
MW218.20 g/mol
LogP0.17
Rot. Bonds5

About trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid

trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid (PubChem CID 135037953) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid
PubChem CID135037953
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Nametrans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid
SMILESCOCOC1C[C@@H](C(=O)O)[C@H](C(=O)O)C1
InChIInChI=1S/C9H14O6/c1-14-4-15-5-2-6(8(10)11)7(3-5)9(12)13/h5-7H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1
InChIKeyAOAIPRJBTWVDII-RNFRBKRXSA-N
XLogP0.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

rel-(1R,2R)-4-Hydroxy-1,2-cyclopentanedicarboxylic acid
CID 57737501
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-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813508
(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
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
cis-dimethyl (1R,2S)-4-hydroxycyclopentane-1,2-dicarboxylate
CID 14489523
Dimethyl 4-methoxycyclopentane-1,2-dicarboxylate
CID 14489526

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid?
The IUPAC name of trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid (CID 135037953) is trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid is COCOC1C[C@@H](C(=O)O)[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid?
The InChIKey is AOAIPRJBTWVDII-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14O6/c1-14-4-15-5-2-6(8(10)11)7(3-5)9(12)13/h5-7H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid?
trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid has a molecular weight of 218.20 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 135037953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).