ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate

C11H20O2 — CID 10797593

IUPACethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
SMILESCCOC(=O)C(C)[C@H]1CCC[C@@H]1C
InChIInChI=1S/C11H20O2/c1-4-13-11(12)9(3)10-7-5-6-8(10)2/h8-10H,4-7H2,1-3H3/t8-,9?,10-/m0/s1
InChIKeyCLCYSESBMFHWKD-SMILAEQMSA-N
MW184.28 g/mol
LogP2.62
Rot. Bonds3

About ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate

ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate (PubChem CID 10797593) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
PubChem CID10797593
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
SMILESCCOC(=O)C(C)[C@H]1CCC[C@@H]1C
InChIInChI=1S/C11H20O2/c1-4-13-11(12)9(3)10-7-5-6-8(10)2/h8-10H,4-7H2,1-3H3/t8-,9?,10-/m0/s1
InChIKeyCLCYSESBMFHWKD-SMILAEQMSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl 3-(2-methylcyclopentyl)propanoate
CID 21041510
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
diethyl 2-(2-bromocyclohexyl)propanedioate
CID 132573294
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
ethyl 2-pyrrolidin-2-ylpropanoate
CID 12896133
ethyl 2-fluoro-2-[(1R,2R)-2-iodocyclopentyl]acetate
CID 101113631
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
2-amino-2-(2-methylcyclopentyl)acetic acid
CID 4308805
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate?
The IUPAC name of ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate (CID 10797593) is ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate.
What is the SMILES notation for ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate?
The canonical SMILES for ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate is CCOC(=O)C(C)[C@H]1CCC[C@@H]1C.
What is the InChIKey of ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate?
The InChIKey is CLCYSESBMFHWKD-SMILAEQMSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-11(12)9(3)10-7-5-6-8(10)2/h8-10H,4-7H2,1-3H3/t8-,9?,10-/m0/s1.
What are the key properties of ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate?
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate has a molecular weight of 184.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate is sourced from PubChem (CID 10797593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).