methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate

C10H18O3 — CID 62394744

IUPACmethyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate
SMILESCCC(C(=O)OC)C(C)(O)C1CC1
InChIInChI=1S/C10H18O3/c1-4-8(9(11)13-3)10(2,12)7-5-6-7/h7-8,12H,4-6H2,1-3H3
InChIKeyAKBKUNJHQCFYAH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds4

About methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate

methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate (PubChem CID 62394744) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate
PubChem CID62394744
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate
SMILESCCC(C(=O)OC)C(C)(O)C1CC1
InChIInChI=1S/C10H18O3/c1-4-8(9(11)13-3)10(2,12)7-5-6-7/h7-8,12H,4-6H2,1-3H3
InChIKeyAKBKUNJHQCFYAH-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropyl-hydroxy-phenylmethyl)butanoate
CID 62395110
methyl 2-ethyl-3,3-dimethylpentanoate
CID 13113712
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
methyl 2-ethyl-3-hydroxy-5-methyl-3-(2-methylpropyl)hexanoate
CID 114868675
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
2-amino-N-(2-cyclopropylpropan-2-yl)-3-methylpentanamide
CID 103832973
methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
CID 66289634
methyl 3-(3,5-dihydroxyphenyl)-2-ethyl-3-hydroxybutanoate
CID 107707781
5-methoxycarbonyl-4,4-dimethylheptanoic acid
CID 142079394
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
methyl 4,6,6,6-tetrachloro-2-ethyl-3,3-dimethylhexanoate
CID 12810694

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate?
The IUPAC name of methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate (CID 62394744) is methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate.
What is the SMILES notation for methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate?
The canonical SMILES for methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate is CCC(C(=O)OC)C(C)(O)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate?
The InChIKey is AKBKUNJHQCFYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-8(9(11)13-3)10(2,12)7-5-6-7/h7-8,12H,4-6H2,1-3H3.
What are the key properties of methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate?
methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate has a molecular weight of 186.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate is sourced from PubChem (CID 62394744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).