(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid

C11H18O3 — CID 139623995

IUPAC(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)[C@@H]1C[C@@H](OC)[C@H](C)[C@H]1C(=O)O
InChIInChI=1S/C11H18O3/c1-6(2)8-5-9(14-4)7(3)10(8)11(12)13/h7-10H,1,5H2,2-4H3,(H,12,13)/t7-,8-,9+,10+/m0/s1
InChIKeyHPWFQDAZLNQNQB-AXTSPUMRSA-N
MW198.26 g/mol
LogP1.93
Rot. Bonds3

About (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid

(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid (PubChem CID 139623995) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
PubChem CID139623995
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)[C@@H]1C[C@@H](OC)[C@H](C)[C@H]1C(=O)O
InChIInChI=1S/C11H18O3/c1-6(2)8-5-9(14-4)7(3)10(8)11(12)13/h7-10H,1,5H2,2-4H3,(H,12,13)/t7-,8-,9+,10+/m0/s1
InChIKeyHPWFQDAZLNQNQB-AXTSPUMRSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid with MolForge

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Related Compounds

Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
methyl (1R,2S,3R,5R)-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 131177950
methyl 2-[(1S,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 162969489
3-Methoxycarbonylmethyl-2-(cis-2-pentenyl)-cyclopentanol
CID 10059594
methyl 2-[3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 14037102
methyl (1S,2R,3S,5S)-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 45098915
methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 134840434
methyl (1R,2R,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
CID 157119479
methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
CID 158149649

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid (CID 139623995) is (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid is C=C(C)[C@@H]1C[C@@H](OC)[C@H](C)[C@H]1C(=O)O.
What is the InChIKey of (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is HPWFQDAZLNQNQB-AXTSPUMRSA-N. The full InChI is InChI=1S/C11H18O3/c1-6(2)8-5-9(14-4)7(3)10(8)11(12)13/h7-10H,1,5H2,2-4H3,(H,12,13)/t7-,8-,9+,10+/m0/s1.
What are the key properties of (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
(1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-methoxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 139623995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).