methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate

C8H14O3 — CID 131226746

IUPACmethyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate
SMILESCOC(=O)C[C@@H](O)C1(C)CC1
InChIInChI=1S/C8H14O3/c1-8(3-4-8)6(9)5-7(10)11-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyBSFCLHFSDXYWLD-ZCFIWIBFSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds3

About methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate

methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate (PubChem CID 131226746) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate
PubChem CID131226746
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate
SMILESCOC(=O)C[C@@H](O)C1(C)CC1
InChIInChI=1S/C8H14O3/c1-8(3-4-8)6(9)5-7(10)11-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyBSFCLHFSDXYWLD-ZCFIWIBFSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3,4-dimethylpentanoate
CID 554058
methyl (3R,4R)-3-amino-4-hydroxy-5-methylhexanoate
CID 102357296
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate
CID 156751440
methyl 3-amino-3-chloropropanoate;hydrochloride
CID 119095933
methyl 3,4-bis(sulfanyl)butanoate
CID 91340238
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate
CID 103356687
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12641503
methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate
CID 63158675

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate?
The IUPAC name of methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate (CID 131226746) is methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate.
What is the SMILES notation for methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate?
The canonical SMILES for methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate is COC(=O)C[C@@H](O)C1(C)CC1.
What is the InChIKey of methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate?
The InChIKey is BSFCLHFSDXYWLD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(3-4-8)6(9)5-7(10)11-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate?
methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate has a molecular weight of 158.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxy-3-(1-methylcyclopropyl)propanoate is sourced from PubChem (CID 131226746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).