rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate

C8H14O3 — CID 12258503

IUPACmethyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](C1)O
InChIInChI=1S/C8H14O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyJKYJDPCEVAGWBX-RQJHMYQMSA-N
MW158.19 g/mol
LogP0.50
Rot. Bonds3

About rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate

rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate (PubChem CID 12258503) has the molecular formula C8H14O3 and a molecular weight of 158.19 g/mol. Its IUPAC name is methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate.

Molecular Properties

Compound Namerac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate
PubChem CID12258503
Molecular FormulaC8H14O3
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Namemethyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](C1)O
InChIInChI=1S/C8H14O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyJKYJDPCEVAGWBX-RQJHMYQMSA-N
XLogP0.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-hydroxycyclohexanecarboxylate
CID 86973
Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid
CID 736153
Methyl 4-hydroxycyclohexanecarboxylate
CID 87117
4-Hydroxy-cyclohexanecarboxylic acid butyl ester
CID 70804341
Methyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate
CID 3766168
Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
CID 520596
2-(2-Ethyloxan-4-yl)acetic acid
CID 22235158
Ethyl 3-hydroxycyclopentanecarboxylate
CID 53407781
(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
CID 55298805
rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid
CID 55299505
2-[(1R,3S)-rel-3-Hydroxycyclopentyl]acetic acid
CID 66658755
Ethyl 3-hydroxybicyclo(3.1.0)hexane-6-carboxylate
CID 67248504

Frequently Asked Questions

What is the IUPAC name of rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate?
The IUPAC name of rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate (CID 12258503) is methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate.
What is the SMILES notation for rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate?
The canonical SMILES for rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate is COC(=O)C[C@@H]1CC[C@@H](C1)O.
What is the InChIKey of rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate?
The InChIKey is JKYJDPCEVAGWBX-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate?
rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate has a molecular weight of 158.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate is sourced from PubChem (CID 12258503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).