ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate

C14H21NO3 — CID 5125045

IUPACethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccc(OC)cc1CC
InChIInChI=1S/C14H21NO3/c1-4-10-8-11(17-3)6-7-12(10)13(15)9-14(16)18-5-2/h6-8,13H,4-5,9,15H2,1-3H3
InChIKeyFTEVNIVKAJZCGK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.21
Rot. Bonds6

About ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate

ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate (PubChem CID 5125045) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
PubChem CID5125045
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccc(OC)cc1CC
InChIInChI=1S/C14H21NO3/c1-4-10-8-11(17-3)6-7-12(10)13(15)9-14(16)18-5-2/h6-8,13H,4-5,9,15H2,1-3H3
InChIKeyFTEVNIVKAJZCGK-UHFFFAOYSA-N
XLogP2.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
ethyl 6-amino-6-(2-fluoro-4-methoxyphenyl)hexanoate
CID 60861338
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate (CID 5125045) is ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate is CCOC(=O)CC(N)c1ccc(OC)cc1CC.
What is the InChIKey of ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate?
The InChIKey is FTEVNIVKAJZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-8-11(17-3)6-7-12(10)13(15)9-14(16)18-5-2/h6-8,13H,4-5,9,15H2,1-3H3.
What are the key properties of ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate?
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate is sourced from PubChem (CID 5125045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).