ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate

C17H27NO3 — CID 3261124

IUPACethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C17H27NO3/c1-7-17(18,15(19)21-8-2)13-11-12(16(3,4)5)9-10-14(13)20-6/h9-11H,7-8,18H2,1-6H3
InChIKeyPTTYGZRQTCFGIG-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.12
Rot. Bonds5

About ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate

ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate (PubChem CID 3261124) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
PubChem CID3261124
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C17H27NO3/c1-7-17(18,15(19)21-8-2)13-11-12(16(3,4)5)9-10-14(13)20-6/h9-11H,7-8,18H2,1-6H3
InChIKeyPTTYGZRQTCFGIG-UHFFFAOYSA-N
XLogP3.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 3504992
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol
CID 139698065
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate?
The IUPAC name of ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate (CID 3261124) is ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate.
What is the SMILES notation for ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate?
The canonical SMILES for ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate is CCOC(=O)C(N)(CC)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate?
The InChIKey is PTTYGZRQTCFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-17(18,15(19)21-8-2)13-11-12(16(3,4)5)9-10-14(13)20-6/h9-11H,7-8,18H2,1-6H3.
What are the key properties of ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate?
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate has a molecular weight of 293.41 g/mol, XLogP of 3.12, 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-(5-tert-butyl-2-methoxyphenyl)butanoate is sourced from PubChem (CID 3261124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).