cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate

C9H16O4 — CID 68728052

IUPACcis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@]1(OC)CCC[C@@H]1OC
InChIInChI=1S/C9H16O4/c1-11-7-5-4-6-9(7,13-3)8(10)12-2/h7H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKeyZZRPMJVCTBNALC-CBAPKCEASA-N
MW188.22 g/mol
LogP0.74
Rot. Bonds3

About cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate

cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate (PubChem CID 68728052) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
PubChem CID68728052
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namecis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@]1(OC)CCC[C@@H]1OC
InChIInChI=1S/C9H16O4/c1-11-7-5-4-6-9(7,13-3)8(10)12-2/h7H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKeyZZRPMJVCTBNALC-CBAPKCEASA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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cis-(1R,2R)-1-amino-2-methoxycyclopentane-1-carboxylic acid
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cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid
CID 67740498
1-(3-hydroxypropoxy)-2-methoxycyclohexane-1-carboxylic acid
CID 106875049
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
CID 141100977
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane
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cis-(1R,2R)-1-bromo-2-methoxy-1-methylcyclopentane
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methyl 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106873006

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate (CID 68728052) is cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate is COC(=O)[C@]1(OC)CCC[C@@H]1OC.
What is the InChIKey of cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate?
The InChIKey is ZZRPMJVCTBNALC-CBAPKCEASA-N. The full InChI is InChI=1S/C9H16O4/c1-11-7-5-4-6-9(7,13-3)8(10)12-2/h7H,4-6H2,1-3H3/t7-,9-/m0/s1.
What are the key properties of cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate?
cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate is sourced from PubChem (CID 68728052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).