methyl (2S)-2-cyclobutyloxypropanoate

C8H14O3 — CID 103337973

IUPACmethyl (2S)-2-cyclobutyloxypropanoate
SMILESCOC(=O)[C@H](C)OC1CCC1
InChIInChI=1S/C8H14O3/c1-6(8(9)10-2)11-7-4-3-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyYFVGRQPEKAMBPQ-LURJTMIESA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

About methyl (2S)-2-cyclobutyloxypropanoate

methyl (2S)-2-cyclobutyloxypropanoate (PubChem CID 103337973) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (2S)-2-cyclobutyloxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclobutyloxypropanoate
PubChem CID103337973
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (2S)-2-cyclobutyloxypropanoate
SMILESCOC(=O)[C@H](C)OC1CCC1
InChIInChI=1S/C8H14O3/c1-6(8(9)10-2)11-7-4-3-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyYFVGRQPEKAMBPQ-LURJTMIESA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
CID 146599014
methyl (2R)-2-(azetidin-3-yloxy)propanoate;2,2,2-trifluoroacetic acid
CID 66742601
2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate
CID 95298268
methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate
CID 99955390
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142
methyl 2-bromo-3-cyclobutyloxypropanoate
CID 81092556
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclobutyloxypropanoate?
The IUPAC name of methyl (2S)-2-cyclobutyloxypropanoate (CID 103337973) is methyl (2S)-2-cyclobutyloxypropanoate.
What is the SMILES notation for methyl (2S)-2-cyclobutyloxypropanoate?
The canonical SMILES for methyl (2S)-2-cyclobutyloxypropanoate is COC(=O)[C@H](C)OC1CCC1.
What is the InChIKey of methyl (2S)-2-cyclobutyloxypropanoate?
The InChIKey is YFVGRQPEKAMBPQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O3/c1-6(8(9)10-2)11-7-4-3-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-cyclobutyloxypropanoate?
methyl (2S)-2-cyclobutyloxypropanoate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cyclobutyloxypropanoate is sourced from PubChem (CID 103337973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).