methyl 2-(2-methoxycyclopenten-1-yl)propanoate

C10H16O3 — CID 14023407

IUPACmethyl 2-(2-methoxycyclopenten-1-yl)propanoate
SMILESCOC(=O)C(C)C1=C(OC)CCC1
InChIInChI=1S/C10H16O3/c1-7(10(11)13-3)8-5-4-6-9(8)12-2/h7H,4-6H2,1-3H3
InChIKeyQTVIWUPMFQEMDJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds3

About methyl 2-(2-methoxycyclopenten-1-yl)propanoate

methyl 2-(2-methoxycyclopenten-1-yl)propanoate (PubChem CID 14023407) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-(2-methoxycyclopenten-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxycyclopenten-1-yl)propanoate
PubChem CID14023407
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-(2-methoxycyclopenten-1-yl)propanoate
SMILESCOC(=O)C(C)C1=C(OC)CCC1
InChIInChI=1S/C10H16O3/c1-7(10(11)13-3)8-5-4-6-9(8)12-2/h7H,4-6H2,1-3H3
InChIKeyQTVIWUPMFQEMDJ-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxycyclopenten-1-yl)propanoate?
The IUPAC name of methyl 2-(2-methoxycyclopenten-1-yl)propanoate (CID 14023407) is methyl 2-(2-methoxycyclopenten-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methoxycyclopenten-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-methoxycyclopenten-1-yl)propanoate is COC(=O)C(C)C1=C(OC)CCC1.
What is the InChIKey of methyl 2-(2-methoxycyclopenten-1-yl)propanoate?
The InChIKey is QTVIWUPMFQEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(10(11)13-3)8-5-4-6-9(8)12-2/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-(2-methoxycyclopenten-1-yl)propanoate?
methyl 2-(2-methoxycyclopenten-1-yl)propanoate has a molecular weight of 184.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxycyclopenten-1-yl)propanoate is sourced from PubChem (CID 14023407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).