(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid

C9H10BrNO3 — CID 131039451

IUPAC(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
SMILESCOc1cccc([C@@H](N)C(=O)O)c1Br
InChIInChI=1S/C9H10BrNO3/c1-14-6-4-2-3-5(7(6)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyACBFPESONDQHEC-MRVPVSSYSA-N
MW260.09 g/mol
LogP1.54
Rot. Bonds3

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

(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid (PubChem CID 131039451) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
PubChem CID131039451
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
SMILESCOc1cccc([C@@H](N)C(=O)O)c1Br
InChIInChI=1S/C9H10BrNO3/c1-14-6-4-2-3-5(7(6)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyACBFPESONDQHEC-MRVPVSSYSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
2-amino-2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117483105
2-amino-2-(2-bromo-3-methoxy-5-propan-2-ylphenyl)acetic acid
CID 117486474
(2S)-2-amino-2-(3-methoxy-2-propoxyphenyl)acetic acid
CID 7139541
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
CID 84713752
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid (CID 131039451) is (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid is COc1cccc([C@@H](N)C(=O)O)c1Br.
What is the InChIKey of (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid?
The InChIKey is ACBFPESONDQHEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-14-6-4-2-3-5(7(6)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid?
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 131039451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).