methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate

C16H23NO2 — CID 60795651

IUPACmethyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
SMILESCCCc1ccc(C(C)(NC2CC2)C(=O)OC)cc1
InChIInChI=1S/C16H23NO2/c1-4-5-12-6-8-13(9-7-12)16(2,15(18)19-3)17-14-10-11-14/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyYAMSFLCGXWTTKZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds6

About methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate

methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate (PubChem CID 60795651) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
PubChem CID60795651
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
SMILESCCCc1ccc(C(C)(NC2CC2)C(=O)OC)cc1
InChIInChI=1S/C16H23NO2/c1-4-5-12-6-8-13(9-7-12)16(2,15(18)19-3)17-14-10-11-14/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyYAMSFLCGXWTTKZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-2-[4-(trifluoromethoxy)phenyl]propanoate
CID 60795789
methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
2-hydrazinyl-2-(4-propylphenyl)propanoic acid
CID 82127906
methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
methyl 2,2-dimethyl-3-oxo-3-(4-propylphenyl)propanoate
CID 116919228
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-(4-tert-butylphenyl)-2-(cyclopropylamino)propanamide
CID 60795288

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate (CID 60795651) is methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate is CCCc1ccc(C(C)(NC2CC2)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate?
The InChIKey is YAMSFLCGXWTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-5-12-6-8-13(9-7-12)16(2,15(18)19-3)17-14-10-11-14/h6-9,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate?
methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate is sourced from PubChem (CID 60795651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).