cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid

C12H22O4 — CID 134872468

IUPACcis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
SMILESCOC1(C)C[C@H]([C@@H](C)[C@H](C)O)[C@H](C(=O)O)C1
InChIInChI=1S/C12H22O4/c1-7(8(2)13)9-5-12(3,16-4)6-10(9)11(14)15/h7-10,13H,5-6H2,1-4H3,(H,14,15)/t7-,8-,9+,10+,12?/m0/s1
InChIKeyGOJCHCVNKMBTRL-WWIPMSHBSA-N
MW230.30 g/mol
LogP1.52
Rot. Bonds4

About cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid (PubChem CID 134872468) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
PubChem CID134872468
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Namecis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
SMILESCOC1(C)C[C@H]([C@@H](C)[C@H](C)O)[C@H](C(=O)O)C1
InChIInChI=1S/C12H22O4/c1-7(8(2)13)9-5-12(3,16-4)6-10(9)11(14)15/h7-10,13H,5-6H2,1-4H3,(H,14,15)/t7-,8-,9+,10+,12?/m0/s1
InChIKeyGOJCHCVNKMBTRL-WWIPMSHBSA-N
XLogP1.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid (CID 134872468) is cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid is COC1(C)C[C@H]([C@@H](C)[C@H](C)O)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is GOJCHCVNKMBTRL-WWIPMSHBSA-N. The full InChI is InChI=1S/C12H22O4/c1-7(8(2)13)9-5-12(3,16-4)6-10(9)11(14)15/h7-10,13H,5-6H2,1-4H3,(H,14,15)/t7-,8-,9+,10+,12?/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 230.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 134872468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).