methyl (1S)-2-methoxycyclopentane-1-carboxylate

C8H14O3 — CID 59162842

IUPACmethyl (1S)-2-methoxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCCC1OC
InChIInChI=1S/C8H14O3/c1-10-7-5-3-4-6(7)8(9)11-2/h6-7H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyBSBGRKKPMRAYPY-PKPIPKONSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds2

About methyl (1S)-2-methoxycyclopentane-1-carboxylate

methyl (1S)-2-methoxycyclopentane-1-carboxylate (PubChem CID 59162842) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (1S)-2-methoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-2-methoxycyclopentane-1-carboxylate
PubChem CID59162842
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (1S)-2-methoxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCCC1OC
InChIInChI=1S/C8H14O3/c1-10-7-5-3-4-6(7)8(9)11-2/h6-7H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyBSBGRKKPMRAYPY-PKPIPKONSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S)-2-methoxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1S)-2-methoxycyclopentane-1-carboxylate (CID 59162842) is methyl (1S)-2-methoxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S)-2-methoxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S)-2-methoxycyclopentane-1-carboxylate is COC(=O)[C@H]1CCCC1OC.
What is the InChIKey of methyl (1S)-2-methoxycyclopentane-1-carboxylate?
The InChIKey is BSBGRKKPMRAYPY-PKPIPKONSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-7-5-3-4-6(7)8(9)11-2/h6-7H,3-5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of methyl (1S)-2-methoxycyclopentane-1-carboxylate?
methyl (1S)-2-methoxycyclopentane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-2-methoxycyclopentane-1-carboxylate is sourced from PubChem (CID 59162842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).