ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate

C15H23NO2 — CID 117049798

IUPACethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
SMILESCCOC(=O)C(C)(CCCN)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-4-18-14(17)15(3,9-6-10-16)13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10,16H2,1-3H3
InChIKeyHTWAUMCZNRHKRP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds6

About ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate

ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate (PubChem CID 117049798) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
PubChem CID117049798
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
SMILESCCOC(=O)C(C)(CCCN)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-4-18-14(17)15(3,9-6-10-16)13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10,16H2,1-3H3
InChIKeyHTWAUMCZNRHKRP-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl 3-cyano-2-methyl-2-(3-methylphenyl)propanoate
CID 117049503
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
methyl 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanoate
CID 171078360
methyl 4-bromo-2-methyl-2-(3-methylphenyl)butanoate
CID 171077022
ethane;methyl 2,7,7-trimethyl-2-(3-methylphenyl)-8-oxooctanoate
CID 171079802
ethyl 2,2-difluoro-3-hydroxy-3-(3-methylphenyl)butanoate
CID 55071366
ethyl 6-iodo-2-methyl-2-phenylhexanoate
CID 142212090
2-ethoxycarbonyl-2-(3-methylphenyl)hexanoic acid
CID 103974851

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate?
The IUPAC name of ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate (CID 117049798) is ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate.
What is the SMILES notation for ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate?
The canonical SMILES for ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate is CCOC(=O)C(C)(CCCN)c1cccc(C)c1.
What is the InChIKey of ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate?
The InChIKey is HTWAUMCZNRHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-14(17)15(3,9-6-10-16)13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10,16H2,1-3H3.
What are the key properties of ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate?
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate has a molecular weight of 249.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate is sourced from PubChem (CID 117049798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).