methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate

C18H27NO2 — CID 43732449

IUPACmethyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
SMILESCCC(C)C(NC1CC(c2ccc(C)cc2)C1)C(=O)OC
InChIInChI=1S/C18H27NO2/c1-5-13(3)17(18(20)21-4)19-16-10-15(11-16)14-8-6-12(2)7-9-14/h6-9,13,15-17,19H,5,10-11H2,1-4H3
InChIKeyHGGNPCSZUYAYJS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.42
Rot. Bonds6

About methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate

methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate (PubChem CID 43732449) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
PubChem CID43732449
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
SMILESCCC(C)C(NC1CC(c2ccc(C)cc2)C1)C(=O)OC
InChIInChI=1S/C18H27NO2/c1-5-13(3)17(18(20)21-4)19-16-10-15(11-16)14-8-6-12(2)7-9-14/h6-9,13,15-17,19H,5,10-11H2,1-4H3
InChIKeyHGGNPCSZUYAYJS-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
CID 99834984
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632713
2-[[3-(4-methylphenyl)cyclobutyl]amino]propanoic acid
CID 54959235
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904
methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
CID 43732410
N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 102696984
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate (CID 43732449) is methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate is CCC(C)C(NC1CC(c2ccc(C)cc2)C1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate?
The InChIKey is HGGNPCSZUYAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-13(3)17(18(20)21-4)19-16-10-15(11-16)14-8-6-12(2)7-9-14/h6-9,13,15-17,19H,5,10-11H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate?
methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate has a molecular weight of 289.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate is sourced from PubChem (CID 43732449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).