methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate

C14H25NO4 — CID 15564945

IUPACmethyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-18-13(16)8-10-15(11-9-14(17)19-2)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3
InChIKeyRUBWXUCQMMHXNH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds7

About methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate

methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate (PubChem CID 15564945) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
PubChem CID15564945
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-18-13(16)8-10-15(11-9-14(17)19-2)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3
InChIKeyRUBWXUCQMMHXNH-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 20833836
Methyl 3-(methyl(pentyl)amino)propanoate
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Methyl N-(isopropyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
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3-(Cyclohexyl(methyl)amino)propanoic acid hydrochloride
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Methyl 3-(2-methylpiperidin-1-yl)propanoate
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Methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate
CID 13496247
Methyl 3-(7-azabicyclo[4.1.0]heptan-7-yl)propanoate
CID 85848762
Methyl 3-(2-methylazepan-1-yl)propanoate
CID 20846519
ethyl 3-{[(1R,2R)-2-fluorocyclohexyl](methyl)amino}propanoate
CID 168021314
Methyl 3-[hexyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 10378597

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate (CID 15564945) is methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate is COC(=O)CCN(CCC(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate?
The InChIKey is RUBWXUCQMMHXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-18-13(16)8-10-15(11-9-14(17)19-2)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3.
What are the key properties of methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate?
methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 15564945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).