methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate

C9H16O3 — CID 164673501

IUPACmethyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate
SMILESCC[C@@]1(C(=O)OC)CCCC1O
InChIInChI=1S/C9H16O3/c1-3-9(8(11)12-2)6-4-5-7(9)10/h7,10H,3-6H2,1-2H3/t7?,9-/m1/s1
InChIKeyOTYJNLAIOMTYEO-NHSZFOGYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate

methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate (PubChem CID 164673501) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate
PubChem CID164673501
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate
SMILESCC[C@@]1(C(=O)OC)CCCC1O
InChIInChI=1S/C9H16O3/c1-3-9(8(11)12-2)6-4-5-7(9)10/h7,10H,3-6H2,1-2H3/t7?,9-/m1/s1
InChIKeyOTYJNLAIOMTYEO-NHSZFOGYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate (CID 164673501) is methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate is CC[C@@]1(C(=O)OC)CCCC1O.
What is the InChIKey of methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is OTYJNLAIOMTYEO-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(8(11)12-2)6-4-5-7(9)10/h7,10H,3-6H2,1-2H3/t7?,9-/m1/s1.
What are the key properties of methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate?
methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 164673501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).