methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate

C16H23NO2 — CID 54894017

IUPACmethyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
SMILESCOC(=O)C(NC1CCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-9-13(10-12(11)2)15(16(18)19-3)17-14-6-4-5-7-14/h8-10,14-15,17H,4-7H2,1-3H3
InChIKeyFZMKVUDGDOJWLT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds4

About methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate

methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate (PubChem CID 54894017) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
PubChem CID54894017
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
SMILESCOC(=O)C(NC1CCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-9-13(10-12(11)2)15(16(18)19-3)17-14-6-4-5-7-14/h8-10,14-15,17H,4-7H2,1-3H3
InChIKeyFZMKVUDGDOJWLT-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
CID 113469426
2-(cycloheptylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60997345

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate (CID 54894017) is methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate is COC(=O)C(NC1CCCC1)c1ccc(C)c(C)c1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate?
The InChIKey is FZMKVUDGDOJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-9-13(10-12(11)2)15(16(18)19-3)17-14-6-4-5-7-14/h8-10,14-15,17H,4-7H2,1-3H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate?
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate has a molecular weight of 261.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 54894017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).