(1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid

C10H14O6 — CID 22884879

IUPAC(1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid
SMILESCOC(C(=O)O)[C@@]1(C(=O)O)CC=C[C@H]1OC
InChIInChI=1S/C10H14O6/c1-15-6-4-3-5-10(6,9(13)14)7(16-2)8(11)12/h3-4,6-7H,5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,10-/m1/s1
InChIKeyLEIYHSWRNZCUGJ-IROMYEEYSA-N
MW230.22 g/mol
LogP0.13
Rot. Bonds5

About (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid

(1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid (PubChem CID 22884879) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid
PubChem CID22884879
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid
SMILESCOC(C(=O)O)[C@@]1(C(=O)O)CC=C[C@H]1OC
InChIInChI=1S/C10H14O6/c1-15-6-4-3-5-10(6,9(13)14)7(16-2)8(11)12/h3-4,6-7H,5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,10-/m1/s1
InChIKeyLEIYHSWRNZCUGJ-IROMYEEYSA-N
XLogP0.13
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) 2-(hydroxymethyl)-2-methylbutanoate
CID 59711464
3-Methoxy-2,2-bis(prop-2-enyl)butanedioic acid
CID 88201752
(2R)-2-[(E)-4-butoxy-4-methylpent-2-enyl]-4-oxooxetane-2-carboxylic acid
CID 88964956
2-(2,5-Dihydrofuran-2-yl)-4-methoxy-4-oxobutanoic acid
CID 121458529
2-(1,6-Dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
CID 139917516
3-Octa-2,7-dienoxy-2,2-bis(octa-2,7-dienyl)butanedioic acid
CID 154161643
3-Hydroxy-2-methoxy-2-prop-1-enylbutanedioic acid
CID 175178974
dimethyl (2S,3R)-2,3,4,7-tetrahydrooxepine-2,3-dicarboxylate
CID 102183141

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid?
The IUPAC name of (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid (CID 22884879) is (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid is COC(C(=O)O)[C@@]1(C(=O)O)CC=C[C@H]1OC.
What is the InChIKey of (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid?
The InChIKey is LEIYHSWRNZCUGJ-IROMYEEYSA-N. The full InChI is InChI=1S/C10H14O6/c1-15-6-4-3-5-10(6,9(13)14)7(16-2)8(11)12/h3-4,6-7H,5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,10-/m1/s1.
What are the key properties of (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid?
(1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[carboxy(methoxy)methyl]-2-methoxycyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 22884879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).