(2R)-2-(3-aminophenyl)-2-methoxyacetic acid

C9H11NO3 — CID 67007354

IUPAC(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)c1cccc(N)c1
InChIInChI=1S/C9H11NO3/c1-13-8(9(11)12)6-3-2-4-7(10)5-6/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyIQQMLCLWOGLMOY-MRVPVSSYSA-N
MW181.19 g/mol
LogP1.04
Rot. Bonds3

About (2R)-2-(3-aminophenyl)-2-methoxyacetic acid

(2R)-2-(3-aminophenyl)-2-methoxyacetic acid (PubChem CID 67007354) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-2-(3-aminophenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
PubChem CID67007354
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)c1cccc(N)c1
InChIInChI=1S/C9H11NO3/c1-13-8(9(11)12)6-3-2-4-7(10)5-6/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyIQQMLCLWOGLMOY-MRVPVSSYSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-(3-methylsulfonyloxyphenyl)acetic acid
CID 23034305
2-(3-aminophenyl)-3-oxobutanoic acid
CID 141079800
2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid
CID 22707109
2-(3-aminophenyl)-3,3-dimethylbutanoic acid
CID 151643541
2-methoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid
CID 129161428
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
aniline;2-hydroxy-2-methoxyacetic acid
CID 175587948
2-(3-aminophenyl)pentanoic acid
CID 119088607
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
(5-methyl-2-propan-2-ylcyclohexyl) 2-(3-aminophenyl)-2-methoxyacetate
CID 174669057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminophenyl)-2-methoxyacetic acid?
The IUPAC name of (2R)-2-(3-aminophenyl)-2-methoxyacetic acid (CID 67007354) is (2R)-2-(3-aminophenyl)-2-methoxyacetic acid.
What is the SMILES notation for (2R)-2-(3-aminophenyl)-2-methoxyacetic acid?
The canonical SMILES for (2R)-2-(3-aminophenyl)-2-methoxyacetic acid is CO[C@@H](C(=O)O)c1cccc(N)c1.
What is the InChIKey of (2R)-2-(3-aminophenyl)-2-methoxyacetic acid?
The InChIKey is IQQMLCLWOGLMOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-8(9(11)12)6-3-2-4-7(10)5-6/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-aminophenyl)-2-methoxyacetic acid?
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid has a molecular weight of 181.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminophenyl)-2-methoxyacetic acid is sourced from PubChem (CID 67007354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).