ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate

C18H21NO3 — CID 5027980

IUPACethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-21-17(20)18(2,19)15-11-7-8-12-16(15)22-13-14-9-5-4-6-10-14/h4-12H,3,13,19H2,1-2H3
InChIKeyWBQQKNQGPVOTFZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.00
Rot. Bonds6

About ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate

ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate (PubChem CID 5027980) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
PubChem CID5027980
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-21-17(20)18(2,19)15-11-7-8-12-16(15)22-13-14-9-5-4-6-10-14/h4-12H,3,13,19H2,1-2H3
InChIKeyWBQQKNQGPVOTFZ-UHFFFAOYSA-N
XLogP3.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(2-phenylmethoxyphenyl)butanamide
CID 66688579
ethyl 3-(3,4-difluoro-5-phenylmethoxyphenyl)-2,2-dimethylpropanoate
CID 57470613
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
diethyl 2-methyl-2-[2-(2-phenylmethoxyphenyl)ethyl]propanedioate;diethyl 2-methylpropanedioate
CID 70146354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate (CID 5027980) is ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate is CCOC(=O)C(C)(N)c1ccccc1OCc1ccccc1.
What is the InChIKey of ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate?
The InChIKey is WBQQKNQGPVOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-21-17(20)18(2,19)15-11-7-8-12-16(15)22-13-14-9-5-4-6-10-14/h4-12H,3,13,19H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate?
ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate has a molecular weight of 299.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 5027980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).