methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate

C15H20O2 — CID 101026694

IUPACmethyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
SMILESCOC(=O)CC[C@@H]1CCC[C@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-17-15(16)11-10-13-8-5-9-14(13)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14-/m0/s1
InChIKeyDBCYFXXJJFAATO-KBPBESRZSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds4

About methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate

methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate (PubChem CID 101026694) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
PubChem CID101026694
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
SMILESCOC(=O)CC[C@@H]1CCC[C@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-17-15(16)11-10-13-8-5-9-14(13)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14-/m0/s1
InChIKeyDBCYFXXJJFAATO-KBPBESRZSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate?
The IUPAC name of methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate (CID 101026694) is methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate.
What is the SMILES notation for methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate?
The canonical SMILES for methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate is COC(=O)CC[C@@H]1CCC[C@H]1c1ccccc1.
What is the InChIKey of methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate?
The InChIKey is DBCYFXXJJFAATO-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-15(16)11-10-13-8-5-9-14(13)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate?
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate has a molecular weight of 232.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate is sourced from PubChem (CID 101026694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).