ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate

C11H18O3 — CID 140798004

IUPACethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate
SMILESCCOC(=O)[C@H](C)OCC1=CCCC1
InChIInChI=1S/C11H18O3/c1-3-13-11(12)9(2)14-8-10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKeyJENZITHSPPPESD-VIFPVBQESA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds5

About ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate

ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate (PubChem CID 140798004) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate
PubChem CID140798004
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate
SMILESCCOC(=O)[C@H](C)OCC1=CCCC1
InChIInChI=1S/C11H18O3/c1-3-13-11(12)9(2)14-8-10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKeyJENZITHSPPPESD-VIFPVBQESA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
CID 101463161
diethyl 2-[(1R)-1-(cyclohexen-1-yl)ethyl]propanedioate
CID 11129313
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 101370700
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
diethyl 2-[(6-oxocyclohexen-1-yl)methyl]propanedioate
CID 102375192
ethyl (2R)-3-(cyclohexen-1-yl)-2-hydroxybutanoate
CID 101090880

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate?
The IUPAC name of ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate (CID 140798004) is ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate.
What is the SMILES notation for ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate?
The canonical SMILES for ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate is CCOC(=O)[C@H](C)OCC1=CCCC1.
What is the InChIKey of ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate?
The InChIKey is JENZITHSPPPESD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O3/c1-3-13-11(12)9(2)14-8-10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate?
ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate is sourced from PubChem (CID 140798004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).