methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate

C8H12O4 — CID 11629667

IUPACmethyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
SMILESCOC(=O)[C@@H](O)[C@@H]1CCC(=O)C1
InChIInChI=1S/C8H12O4/c1-12-8(11)7(10)5-2-3-6(9)4-5/h5,7,10H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyOLQSCHGDPIHCNQ-VDTYLAMSSA-N
MW172.18 g/mol
LogP-0.11
Rot. Bonds2

About methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate

methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate (PubChem CID 11629667) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
PubChem CID11629667
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Namemethyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
SMILESCOC(=O)[C@@H](O)[C@@H]1CCC(=O)C1
InChIInChI=1S/C8H12O4/c1-12-8(11)7(10)5-2-3-6(9)4-5/h5,7,10H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyOLQSCHGDPIHCNQ-VDTYLAMSSA-N
XLogP-0.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
3-(1-hydroxyethyl)cyclopentan-1-one
CID 76687141
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
dimethyl 2-(3-oxocyclododecyl)propanedioate
CID 10591215
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
CID 58072083
methyl 3-oxo-2-[(1S)-3-oxocyclopentyl]hept-6-enoate
CID 101274394
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-oxocyclohexyl)acetate
CID 58911914
formic acid;3-(1-hydroxyethyl)cyclopentan-1-one
CID 174506059
methyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclohexyl]acetate
CID 86315618
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate?
The IUPAC name of methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate (CID 11629667) is methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate is COC(=O)[C@@H](O)[C@@H]1CCC(=O)C1.
What is the InChIKey of methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate?
The InChIKey is OLQSCHGDPIHCNQ-VDTYLAMSSA-N. The full InChI is InChI=1S/C8H12O4/c1-12-8(11)7(10)5-2-3-6(9)4-5/h5,7,10H,2-4H2,1H3/t5-,7+/m1/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate?
methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate has a molecular weight of 172.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate is sourced from PubChem (CID 11629667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).