methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate

C18H27NO2 — CID 60998770

IUPACmethyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)14-9-11-15(12-10-14)18(3,17(20)21-4)19-16-7-5-6-8-16/h9-13,16,19H,5-8H2,1-4H3
InChIKeyBQLNUYWKCLWLAM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.73
Rot. Bonds5

About methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate

methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate (PubChem CID 60998770) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
PubChem CID60998770
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)14-9-11-15(12-10-14)18(3,17(20)21-4)19-16-7-5-6-8-16/h9-13,16,19H,5-8H2,1-4H3
InChIKeyBQLNUYWKCLWLAM-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
CID 54893864
methyl 2-(cyclopentylamino)-2-(3-methoxyphenyl)propanoate
CID 60998640
methyl 2-(cyclopropylamino)-2-[4-(trifluoromethoxy)phenyl]propanoate
CID 60795789
methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
CID 60795651
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
CID 60998071
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61047114
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate (CID 60998770) is methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate is COC(=O)C(C)(NC1CCCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate?
The InChIKey is BQLNUYWKCLWLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)14-9-11-15(12-10-14)18(3,17(20)21-4)19-16-7-5-6-8-16/h9-13,16,19H,5-8H2,1-4H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate?
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate has a molecular weight of 289.42 g/mol, XLogP of 3.73, 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-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 60998770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).