methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate

C13H23NO5 — CID 65442802

IUPACmethyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate
SMILESCOC(=O)C(COC1CCCC(OC)C1)NC(C)=O
InChIInChI=1S/C13H23NO5/c1-9(15)14-12(13(16)18-3)8-19-11-6-4-5-10(7-11)17-2/h10-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyZHIVPHORABBNHX-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.64
Rot. Bonds6

About methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate

methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate (PubChem CID 65442802) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate
PubChem CID65442802
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namemethyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate
SMILESCOC(=O)C(COC1CCCC(OC)C1)NC(C)=O
InChIInChI=1S/C13H23NO5/c1-9(15)14-12(13(16)18-3)8-19-11-6-4-5-10(7-11)17-2/h10-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyZHIVPHORABBNHX-UHFFFAOYSA-N
XLogP0.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxycyclohexyl) 2-acetamido-3-sulfanylpropanoate
CID 107770067
methyl 2-bromo-3-(3-methylcyclohexyl)oxypropanoate
CID 81092090
(2R)-2-acetamido-3-(3-methoxycyclohexyl)sulfanylpropanoic acid
CID 107774331
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
3,3,3-trifluoro-2-[(3-methoxycyclohexyl)oxymethyl]propanoic acid
CID 103372348
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-bromo-3-cyclobutyloxypropanoate
CID 81092556
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64744611

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate?
The IUPAC name of methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate (CID 65442802) is methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate.
What is the SMILES notation for methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate?
The canonical SMILES for methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate is COC(=O)C(COC1CCCC(OC)C1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate?
The InChIKey is ZHIVPHORABBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9(15)14-12(13(16)18-3)8-19-11-6-4-5-10(7-11)17-2/h10-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate?
methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate has a molecular weight of 273.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate is sourced from PubChem (CID 65442802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).