methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate

C15H20ClNO2 — CID 43726137

IUPACmethyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-15(2,14(18)19-3)17-13-8-11(9-13)10-4-6-12(16)7-5-10/h4-7,11,13,17H,8-9H2,1-3H3
InChIKeyJMYSZJMYNMKNSJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate

methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate (PubChem CID 43726137) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate
PubChem CID43726137
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Namemethyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-15(2,14(18)19-3)17-13-8-11(9-13)10-4-6-12(16)7-5-10/h4-7,11,13,17H,8-9H2,1-3H3
InChIKeyJMYSZJMYNMKNSJ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine
CID 63999517
methyl 2-methyl-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561404
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
CID 43726172
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 166332739
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
methyl 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylpropanoate
CID 82690228
methyl 2-[[(4-chlorophenoxy)-methylphosphoryl]amino]-2-methylpropanoate
CID 143327879
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856
N-[3-(4-chlorophenyl)cyclobutyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 129479993

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate (CID 43726137) is methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate?
The InChIKey is JMYSZJMYNMKNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-15(2,14(18)19-3)17-13-8-11(9-13)10-4-6-12(16)7-5-10/h4-7,11,13,17H,8-9H2,1-3H3.
What are the key properties of methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate?
methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate has a molecular weight of 281.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate is sourced from PubChem (CID 43726137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).