ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate

C11H20O3 — CID 134958372

IUPACethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate
SMILESCCC[C@H]1CC[C@H](O)[C@@H]1C(=O)OCC
InChIInChI=1S/C11H20O3/c1-3-5-8-6-7-9(12)10(8)11(13)14-4-2/h8-10,12H,3-7H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeyUCIOHSKTRWVQIA-LPEHRKFASA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds4

About ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate

ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate (PubChem CID 134958372) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate
PubChem CID134958372
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate
SMILESCCC[C@H]1CC[C@H](O)[C@@H]1C(=O)OCC
InChIInChI=1S/C11H20O3/c1-3-5-8-6-7-9(12)10(8)11(13)14-4-2/h8-10,12H,3-7H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeyUCIOHSKTRWVQIA-LPEHRKFASA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rosaprostol
CID 6917723
Virginiamycin butanolide C
CID 131000
Rosaprostol sodium
CID 23663949
(3R,4R)-3-[(1S)-1-hydroxy-4-methylpentyl]-4-(hydroxymethyl)oxolan-2-one
CID 101685673
Rosal
CID 168322438
Virginiaebutanolide C
CID 40565489
trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide
CID 134812
(3R,4R)-3-[(1R)-1-hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one
CID 92281471
Virginiamycin butanolide D
CID 130532
Virginiamycin butanolide B
CID 130999
Trihomononactic acid
CID 11276607
(3R,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one
CID 23241330

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate (CID 134958372) is ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate is CCC[C@H]1CC[C@H](O)[C@@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate?
The InChIKey is UCIOHSKTRWVQIA-LPEHRKFASA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-8-6-7-9(12)10(8)11(13)14-4-2/h8-10,12H,3-7H2,1-2H3/t8-,9-,10+/m0/s1.
What are the key properties of ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate?
ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate is sourced from PubChem (CID 134958372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).