ethyl 2-amino-2-(4-methoxyphenyl)butanoate

C13H19NO3 — CID 5027941

IUPACethyl 2-amino-2-(4-methoxyphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-13(14,12(15)17-5-2)10-6-8-11(16-3)9-7-10/h6-9H,4-5,14H2,1-3H3
InChIKeyZJZPBBSVYDGCTJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds5

About ethyl 2-amino-2-(4-methoxyphenyl)butanoate

ethyl 2-amino-2-(4-methoxyphenyl)butanoate (PubChem CID 5027941) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-amino-2-(4-methoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(4-methoxyphenyl)butanoate
PubChem CID5027941
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-amino-2-(4-methoxyphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-13(14,12(15)17-5-2)10-6-8-11(16-3)9-7-10/h6-9H,4-5,14H2,1-3H3
InChIKeyZJZPBBSVYDGCTJ-UHFFFAOYSA-N
XLogP1.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481
diethyl 2-acetyloxy-2-(4-methoxyphenyl)propanedioate
CID 14066104
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
ethyl 2-ethylsulfanyl-2-(4-methoxyphenyl)propanoate
CID 13070543
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
3-amino-3-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 66921479
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(4-methoxyphenyl)butanoate?
The IUPAC name of ethyl 2-amino-2-(4-methoxyphenyl)butanoate (CID 5027941) is ethyl 2-amino-2-(4-methoxyphenyl)butanoate.
What is the SMILES notation for ethyl 2-amino-2-(4-methoxyphenyl)butanoate?
The canonical SMILES for ethyl 2-amino-2-(4-methoxyphenyl)butanoate is CCOC(=O)C(N)(CC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-amino-2-(4-methoxyphenyl)butanoate?
The InChIKey is ZJZPBBSVYDGCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-13(14,12(15)17-5-2)10-6-8-11(16-3)9-7-10/h6-9H,4-5,14H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(4-methoxyphenyl)butanoate?
ethyl 2-amino-2-(4-methoxyphenyl)butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(4-methoxyphenyl)butanoate is sourced from PubChem (CID 5027941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).