(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid

C8H9ClN2O3 — CID 131214154

IUPAC(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc([C@@H](N)C(=O)O)c(Cl)n1
InChIInChI=1S/C8H9ClN2O3/c1-14-5-3-2-4(7(9)11-5)6(10)8(12)13/h2-3,6H,10H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyXRJMRDXULGPTHT-ZCFIWIBFSA-N
MW216.62 g/mol
LogP0.83
Rot. Bonds3

About (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid

(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid (PubChem CID 131214154) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid
PubChem CID131214154
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc([C@@H](N)C(=O)O)c(Cl)n1
InChIInChI=1S/C8H9ClN2O3/c1-14-5-3-2-4(7(9)11-5)6(10)8(12)13/h2-3,6H,10H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyXRJMRDXULGPTHT-ZCFIWIBFSA-N
XLogP0.83
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
CID 14238404
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
CID 130627537
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
2-amino-2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)acetic acid
CID 83890426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid (CID 131214154) is (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid is COc1ccc([C@@H](N)C(=O)O)c(Cl)n1.
What is the InChIKey of (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is XRJMRDXULGPTHT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-14-5-3-2-4(7(9)11-5)6(10)8(12)13/h2-3,6H,10H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid?
(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 216.62 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 131214154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).