methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate

C17H24ClNO2 — CID 43732446

IUPACmethyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC1CC(c2ccccc2Cl)C1)C(=O)OC
InChIInChI=1S/C17H24ClNO2/c1-4-11(2)16(17(20)21-3)19-13-9-12(10-13)14-7-5-6-8-15(14)18/h5-8,11-13,16,19H,4,9-10H2,1-3H3
InChIKeyBWPRUQRBKUMLCO-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.76
Rot. Bonds6

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

methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate (PubChem CID 43732446) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
PubChem CID43732446
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC1CC(c2ccccc2Cl)C1)C(=O)OC
InChIInChI=1S/C17H24ClNO2/c1-4-11(2)16(17(20)21-3)19-13-9-12(10-13)14-7-5-6-8-15(14)18/h5-8,11-13,16,19H,4,9-10H2,1-3H3
InChIKeyBWPRUQRBKUMLCO-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
CID 43732449
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
CID 106348762
3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
CID 43635714
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
CID 99834984
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
CID 60780597
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
CID 61498275

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate (CID 43732446) is methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate is CCC(C)C(NC1CC(c2ccccc2Cl)C1)C(=O)OC.
What is the InChIKey of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate?
The InChIKey is BWPRUQRBKUMLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-4-11(2)16(17(20)21-3)19-13-9-12(10-13)14-7-5-6-8-15(14)18/h5-8,11-13,16,19H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate?
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate has a molecular weight of 309.84 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate is sourced from PubChem (CID 43732446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).