ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate

C12H16BrNO3 — CID 153439532

IUPACethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
SMILESCCOC(=O)COC[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO3/c1-2-17-12(15)8-16-7-11(14)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1
InChIKeyKTRRGLCZNCBKFQ-NSHDSACASA-N
MW302.17 g/mol
LogP2.03
Rot. Bonds6

About ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate

ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate (PubChem CID 153439532) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
PubChem CID153439532
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Nameethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
SMILESCCOC(=O)COC[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO3/c1-2-17-12(15)8-16-7-11(14)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1
InChIKeyKTRRGLCZNCBKFQ-NSHDSACASA-N
XLogP2.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-4-(4-bromophenyl)butanoate
CID 60861000
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 61328180
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
CID 61329151
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
CID 61328772
ethyl 2-[2-amino-2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 62374568
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate?
The IUPAC name of ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate (CID 153439532) is ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate is CCOC(=O)COC[C@H](N)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate?
The InChIKey is KTRRGLCZNCBKFQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-2-17-12(15)8-16-7-11(14)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1.
What are the key properties of ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate?
ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate has a molecular weight of 302.17 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate is sourced from PubChem (CID 153439532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).