methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate

C17H25NO2 — CID 60999109

IUPACmethyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
SMILESCCC(NC1CCCC1)(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-4-17(16(19)20-3,18-15-7-5-6-8-15)14-11-9-13(2)10-12-14/h9-12,15,18H,4-8H2,1-3H3
InChIKeyLOCHGVVSUTWSLQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate

methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate (PubChem CID 60999109) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
PubChem CID60999109
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
SMILESCCC(NC1CCCC1)(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-4-17(16(19)20-3,18-15-7-5-6-8-15)14-11-9-13(2)10-12-14/h9-12,15,18H,4-8H2,1-3H3
InChIKeyLOCHGVVSUTWSLQ-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate (CID 60999109) is methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate is CCC(NC1CCCC1)(C(=O)OC)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate?
The InChIKey is LOCHGVVSUTWSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-17(16(19)20-3,18-15-7-5-6-8-15)14-11-9-13(2)10-12-14/h9-12,15,18H,4-8H2,1-3H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate?
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate has a molecular weight of 275.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate is sourced from PubChem (CID 60999109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).