(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid

C11H14BrNO4 — CID 7139595

IUPAC(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
SMILESCCOc1c(Br)cc([C@@H](N)C(=O)O)cc1OC
InChIInChI=1S/C11H14BrNO4/c1-3-17-10-7(12)4-6(5-8(10)16-2)9(13)11(14)15/h4-5,9H,3,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyONLJTRDIVAMYMY-SECBINFHSA-N
MW304.14 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid

(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid (PubChem CID 7139595) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
PubChem CID7139595
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
SMILESCCOc1c(Br)cc([C@@H](N)C(=O)O)cc1OC
InChIInChI=1S/C11H14BrNO4/c1-3-17-10-7(12)4-6(5-8(10)16-2)9(13)11(14)15/h4-5,9H,3,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyONLJTRDIVAMYMY-SECBINFHSA-N
XLogP1.94
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3-bromo-4-hexoxy-5-methoxyphenyl)acetic acid
CID 7139611
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 705633
3-amino-3-(3-bromo-4,5-dimethoxyphenyl)propanoate
CID 22608489
2-amino-2-(2-bromo-3-methoxy-5-propan-2-ylphenyl)acetic acid
CID 117486474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid (CID 7139595) is (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid is CCOc1c(Br)cc([C@@H](N)C(=O)O)cc1OC.
What is the InChIKey of (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid?
The InChIKey is ONLJTRDIVAMYMY-SECBINFHSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-3-17-10-7(12)4-6(5-8(10)16-2)9(13)11(14)15/h4-5,9H,3,13H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid?
(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid has a molecular weight of 304.14 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid is sourced from PubChem (CID 7139595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).