2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid

C9H10ClNO4 — CID 84794912

IUPAC2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(O)c(C(N)C(=O)O)c1Cl
InChIInChI=1S/C9H10ClNO4/c1-15-5-3-2-4(12)6(7(5)10)8(11)9(13)14/h2-3,8,12H,11H2,1H3,(H,13,14)
InChIKeyBSGGOWUGQLGVFK-UHFFFAOYSA-N
MW231.63 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid

2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 84794912) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID84794912
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(O)c(C(N)C(=O)O)c1Cl
InChIInChI=1S/C9H10ClNO4/c1-15-5-3-2-4(12)6(7(5)10)8(11)9(13)14/h2-3,8,12H,11H2,1H3,(H,13,14)
InChIKeyBSGGOWUGQLGVFK-UHFFFAOYSA-N
XLogP1.14
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol
CID 84795067
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653
(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
CID 66512743
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
(2S)-2-amino-2-(2-hydroxy-4,6-dimethoxyphenyl)acetic acid
CID 66513076
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
CID 84713752
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid (CID 84794912) is 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid is COc1ccc(O)c(C(N)C(=O)O)c1Cl.
What is the InChIKey of 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is BSGGOWUGQLGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-15-5-3-2-4(12)6(7(5)10)8(11)9(13)14/h2-3,8,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid?
2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 231.63 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 84794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).