ethyl 2-amino-2-(4-propylphenyl)acetate

C13H19NO2 — CID 116947143

IUPACethyl 2-amino-2-(4-propylphenyl)acetate
SMILESCCCc1ccc(C(N)C(=O)OCC)cc1
InChIInChI=1S/C13H19NO2/c1-3-5-10-6-8-11(9-7-10)12(14)13(15)16-4-2/h6-9,12H,3-5,14H2,1-2H3
InChIKeyGJJBFYWLOQYEPI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-amino-2-(4-propylphenyl)acetate

ethyl 2-amino-2-(4-propylphenyl)acetate (PubChem CID 116947143) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-amino-2-(4-propylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(4-propylphenyl)acetate
PubChem CID116947143
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-amino-2-(4-propylphenyl)acetate
SMILESCCCc1ccc(C(N)C(=O)OCC)cc1
InChIInChI=1S/C13H19NO2/c1-3-5-10-6-8-11(9-7-10)12(14)13(15)16-4-2/h6-9,12H,3-5,14H2,1-2H3
InChIKeyGJJBFYWLOQYEPI-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
diethyl 2-(4-butylphenyl)propanedioate
CID 14527868
methyl 2-(4-propylphenyl)propanoate
CID 62801402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(4-propylphenyl)acetate?
The IUPAC name of ethyl 2-amino-2-(4-propylphenyl)acetate (CID 116947143) is ethyl 2-amino-2-(4-propylphenyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(4-propylphenyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(4-propylphenyl)acetate is CCCc1ccc(C(N)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-amino-2-(4-propylphenyl)acetate?
The InChIKey is GJJBFYWLOQYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-10-6-8-11(9-7-10)12(14)13(15)16-4-2/h6-9,12H,3-5,14H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(4-propylphenyl)acetate?
ethyl 2-amino-2-(4-propylphenyl)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.20, 5 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-propylphenyl)acetate is sourced from PubChem (CID 116947143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).