ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate

C15H23NO3 — CID 79848371

IUPACethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
SMILESCCOC(=O)CC(C)(N)CCc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14(17)11-15(2,16)10-9-12-5-7-13(18-3)8-6-12/h5-8H,4,9-11,16H2,1-3H3
InChIKeyXBKAOTXYOBWJRY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds7

About ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate

ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate (PubChem CID 79848371) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
PubChem CID79848371
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
SMILESCCOC(=O)CC(C)(N)CCc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14(17)11-15(2,16)10-9-12-5-7-13(18-3)8-6-12/h5-8H,4,9-11,16H2,1-3H3
InChIKeyXBKAOTXYOBWJRY-UHFFFAOYSA-N
XLogP2.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate
CID 146168916
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate
CID 97352162
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
ethyl 3,3-dimethyl-5-(4-methylphenyl)pentanoate
CID 158053687
ethyl 7-(4-methoxyphenyl)-6,6-dimethylheptanoate
CID 23072391
ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 2-[2-(4-methoxyphenyl)ethylsulfanyl]acetate
CID 78790188
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
3-(aminomethyl)-5-(4-methoxyphenyl)-3-methylpentanoic acid
CID 66097459
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate?
The IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate (CID 79848371) is ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate.
What is the SMILES notation for ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate?
The canonical SMILES for ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate is CCOC(=O)CC(C)(N)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate?
The InChIKey is XBKAOTXYOBWJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-14(17)11-15(2,16)10-9-12-5-7-13(18-3)8-6-12/h5-8H,4,9-11,16H2,1-3H3.
What are the key properties of ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate?
ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate is sourced from PubChem (CID 79848371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).