2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid

C11H14ClNO4 — CID 117403289

IUPAC2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
SMILESCOc1c(Cl)cc(C(N)C(=O)O)c(OC)c1C
InChIInChI=1S/C11H14ClNO4/c1-5-9(16-2)6(8(13)11(14)15)4-7(12)10(5)17-3/h4,8H,13H2,1-3H3,(H,14,15)
InChIKeyBUYICFCNLQAAOY-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid

2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid (PubChem CID 117403289) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
PubChem CID117403289
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
SMILESCOc1c(Cl)cc(C(N)C(=O)O)c(OC)c1C
InChIInChI=1S/C11H14ClNO4/c1-5-9(16-2)6(8(13)11(14)15)4-7(12)10(5)17-3/h4,8H,13H2,1-3H3,(H,14,15)
InChIKeyBUYICFCNLQAAOY-UHFFFAOYSA-N
XLogP1.75
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117400479
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
2-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-oxoacetic acid
CID 117400181
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
2-amino-3-(5-chloro-2-hydroxy-4-methoxy-3-methylphenyl)propanoic acid
CID 117403271
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid (CID 117403289) is 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid is COc1c(Cl)cc(C(N)C(=O)O)c(OC)c1C.
What is the InChIKey of 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid?
The InChIKey is BUYICFCNLQAAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-5-9(16-2)6(8(13)11(14)15)4-7(12)10(5)17-3/h4,8H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid?
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid has a molecular weight of 259.69 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 117403289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).