methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate

C15H21NO3 — CID 54893864

IUPACmethyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1cccc(O)c1
InChIInChI=1S/C15H21NO3/c1-15(14(18)19-2,16-12-7-3-4-8-12)11-6-5-9-13(17)10-11/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3
InChIKeyOIIOAHPZYZUFNS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate

methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate (PubChem CID 54893864) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
PubChem CID54893864
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1cccc(O)c1
InChIInChI=1S/C15H21NO3/c1-15(14(18)19-2,16-12-7-3-4-8-12)11-6-5-9-13(17)10-11/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3
InChIKeyOIIOAHPZYZUFNS-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopentylamino)-2-(3-methoxyphenyl)propanoate
CID 60998640
2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanamide
CID 54894241
methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
CID 60998071
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993337
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-(3-bromophenyl)-2-(cyclopentylamino)propanamide
CID 54893904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate (CID 54893864) is methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate is COC(=O)C(C)(NC1CCCC1)c1cccc(O)c1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate?
The InChIKey is OIIOAHPZYZUFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(14(18)19-2,16-12-7-3-4-8-12)11-6-5-9-13(17)10-11/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate?
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 54893864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).