ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate

C15H23NO2 — CID 79848294

IUPACethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
SMILESCCOC(=O)CC(C)(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-18-14(17)10-15(4,16)13-8-6-12(7-9-13)11(2)3/h6-9,11H,5,10,16H2,1-4H3
InChIKeyVSVGMETXVRTLBW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds5

About ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate

ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate (PubChem CID 79848294) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
PubChem CID79848294
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
SMILESCCOC(=O)CC(C)(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-18-14(17)10-15(4,16)13-8-6-12(7-9-13)11(2)3/h6-9,11H,5,10,16H2,1-4H3
InChIKeyVSVGMETXVRTLBW-UHFFFAOYSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848368
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
CID 7022712
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
methyl 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexanoate
CID 66098770
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate?
The IUPAC name of ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate (CID 79848294) is ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate.
What is the SMILES notation for ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate?
The canonical SMILES for ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate is CCOC(=O)CC(C)(N)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate?
The InChIKey is VSVGMETXVRTLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-18-14(17)10-15(4,16)13-8-6-12(7-9-13)11(2)3/h6-9,11H,5,10,16H2,1-4H3.
What are the key properties of ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate?
ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate is sourced from PubChem (CID 79848294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).