ethyl 2-amino-2-(4-tert-butylphenyl)propanoate

C15H23NO2 — CID 3918819

IUPACethyl 2-amino-2-(4-tert-butylphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-6-18-13(17)15(5,16)12-9-7-11(8-10-12)14(2,3)4/h7-10H,6,16H2,1-5H3
InChIKeyPKWVDVOFAKVMBV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds3

About ethyl 2-amino-2-(4-tert-butylphenyl)propanoate

ethyl 2-amino-2-(4-tert-butylphenyl)propanoate (PubChem CID 3918819) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-amino-2-(4-tert-butylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(4-tert-butylphenyl)propanoate
PubChem CID3918819
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-amino-2-(4-tert-butylphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-6-18-13(17)15(5,16)12-9-7-11(8-10-12)14(2,3)4/h7-10H,6,16H2,1-5H3
InChIKeyPKWVDVOFAKVMBV-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 3-(4-tert-butylphenyl)-3-(dimethylamino)butanoate
CID 64541814
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
1-tert-butyl-4-(3,3-dimethylbut-1-ynyl)benzene;ethyl 2,2-dimethylpropanoate
CID 159438295
ethyl (3S)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171246981
ethyl 2-(4-methanethioylphenyl)-2-methylpropanoate
CID 87118214
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(4-tert-butylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-2-(4-tert-butylphenyl)propanoate (CID 3918819) is ethyl 2-amino-2-(4-tert-butylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(4-tert-butylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-2-(4-tert-butylphenyl)propanoate is CCOC(=O)C(C)(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-amino-2-(4-tert-butylphenyl)propanoate?
The InChIKey is PKWVDVOFAKVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-13(17)15(5,16)12-9-7-11(8-10-12)14(2,3)4/h7-10H,6,16H2,1-5H3.
What are the key properties of ethyl 2-amino-2-(4-tert-butylphenyl)propanoate?
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(4-tert-butylphenyl)propanoate is sourced from PubChem (CID 3918819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).