methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate

C15H21NO3 — CID 60780597

IUPACmethyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
SMILESCOC(=O)C(C)NC1CC(c2ccccc2OC)C1
InChIInChI=1S/C15H21NO3/c1-10(15(17)19-3)16-12-8-11(9-12)13-6-4-5-7-14(13)18-2/h4-7,10-12,16H,8-9H2,1-3H3
InChIKeyYUDFHNXKHGIYIU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate

methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate (PubChem CID 60780597) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
PubChem CID60780597
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
SMILESCOC(=O)C(C)NC1CC(c2ccccc2OC)C1
InChIInChI=1S/C15H21NO3/c1-10(15(17)19-3)16-12-8-11(9-12)13-6-4-5-7-14(13)18-2/h4-7,10-12,16H,8-9H2,1-3H3
InChIKeyYUDFHNXKHGIYIU-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanamide
CID 43635745
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 63987431
3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634103
3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 106158739
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
CID 61498275
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
3-(2-methoxyphenyl)-N-[1-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 115919997
methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561384
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate?
The IUPAC name of methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate (CID 60780597) is methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate?
The canonical SMILES for methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate is COC(=O)C(C)NC1CC(c2ccccc2OC)C1.
What is the InChIKey of methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate?
The InChIKey is YUDFHNXKHGIYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(15(17)19-3)16-12-8-11(9-12)13-6-4-5-7-14(13)18-2/h4-7,10-12,16H,8-9H2,1-3H3.
What are the key properties of methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate?
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate is sourced from PubChem (CID 60780597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).