methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate

C16H25NO2 — CID 54927569

IUPACmethyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
SMILESCOC(=O)CCCC(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO2/c1-10-9-11(2)13(4)16(12(10)3)14(17)7-6-8-15(18)19-5/h9,14H,6-8,17H2,1-5H3
InChIKeySIDDUCLELBHLQL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds5

About methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate

methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate (PubChem CID 54927569) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
PubChem CID54927569
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
SMILESCOC(=O)CCCC(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO2/c1-10-9-11(2)13(4)16(12(10)3)14(17)7-6-8-15(18)19-5/h9,14H,6-8,17H2,1-5H3
InChIKeySIDDUCLELBHLQL-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate
CID 69082521
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960
methyl 5-amino-5-(5-bromo-2-methoxy-4-methylphenyl)pentanoate
CID 65434125
ethane;methyl 4-(3,4,5-trimethylphenoxy)butanoate
CID 156857087
3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 116937694
methyl 5-amino-5-[2,4-di(propan-2-yl)phenyl]pentanoate
CID 60860655
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
methyl 5-amino-5-(2,4-difluorophenyl)pentanoate
CID 54927803
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate?
The IUPAC name of methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate (CID 54927569) is methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate.
What is the SMILES notation for methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate?
The canonical SMILES for methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate is COC(=O)CCCC(N)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate?
The InChIKey is SIDDUCLELBHLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-9-11(2)13(4)16(12(10)3)14(17)7-6-8-15(18)19-5/h9,14H,6-8,17H2,1-5H3.
What are the key properties of methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate?
methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate has a molecular weight of 263.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate is sourced from PubChem (CID 54927569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).