methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate

C10H17NO3 — CID 61032474

IUPACmethyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCC1
InChIInChI=1S/C10H17NO3/c1-11(7-6-9(12)14-2)10(13)8-4-3-5-8/h8H,3-7H2,1-2H3
InChIKeyWESAJJYLJIJTGL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds4

About methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate

methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate (PubChem CID 61032474) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate
PubChem CID61032474
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCC1
InChIInChI=1S/C10H17NO3/c1-11(7-6-9(12)14-2)10(13)8-4-3-5-8/h8H,3-7H2,1-2H3
InChIKeyWESAJJYLJIJTGL-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-[2-ethylhexanoyl(methyl)amino]propanoate
CID 18625130
Methyl 3-[methyl(3-methylbutanoyl)amino]propanoate
CID 61028943
Methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate
CID 177073013
Methyl 3-(cyclobutanecarbonylamino)propanoate
CID 21803128
Ethyl 3-(cyclobutanecarbonylamino)propanoate
CID 23177198
Methyl 2-[cyclobutanecarbonyl(methyl)amino]acetate
CID 43407402
Ethyl 3-[cyclobutanecarbonyl(cyclopropyl)amino]propanoate
CID 48387520
Methyl 3-[cyclobutanecarbonyl(cyclopentyl)amino]propanoate
CID 48865234
Methyl 3-[cyclopentyl(3-methylbutanoyl)amino]propanoate
CID 48865253
1-(Cyclobutylcarbonyl)-4-piperidyl acetate
CID 53016362
Methyl 3-[ethyl(2-ethylhexanoyl)amino]propanoate
CID 54898454
Methyl 3-[ethyl(3,5,5-trimethylhexanoyl)amino]propanoate
CID 54898595

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate (CID 61032474) is methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate is COC(=O)CCN(C)C(=O)C1CCC1.
What is the InChIKey of methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate?
The InChIKey is WESAJJYLJIJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(7-6-9(12)14-2)10(13)8-4-3-5-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate?
methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 61032474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).