ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate

C15H23NO3 — CID 82367122

IUPACethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-4-19-15(17)7-5-6-14(16)13-9-8-12(18-3)10-11(13)2/h8-10,14H,4-7,16H2,1-3H3
InChIKeyOKUSTBGFERKRPZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.74
Rot. Bonds7

About ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate

ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate (PubChem CID 82367122) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
PubChem CID82367122
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-4-19-15(17)7-5-6-14(16)13-9-8-12(18-3)10-11(13)2/h8-10,14H,4-7,16H2,1-3H3
InChIKeyOKUSTBGFERKRPZ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-amino-6-(2-fluoro-4-methoxyphenyl)hexanoate
CID 60861338
ethyl 6-amino-6-(2-chloro-4-methoxyphenyl)hexanoate
CID 60861847
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate?
The IUPAC name of ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate (CID 82367122) is ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate.
What is the SMILES notation for ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate?
The canonical SMILES for ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate is CCOC(=O)CCCC(N)c1ccc(OC)cc1C.
What is the InChIKey of ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate?
The InChIKey is OKUSTBGFERKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-15(17)7-5-6-14(16)13-9-8-12(18-3)10-11(13)2/h8-10,14H,4-7,16H2,1-3H3.
What are the key properties of ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate?
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate is sourced from PubChem (CID 82367122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).