2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid

C9H10ClNO3 — CID 91620100

IUPAC2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)cc(Cl)c1N
InChIInChI=1S/C9H10ClNO3/c1-14-7-3-5(4-8(12)13)2-6(10)9(7)11/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyNQAYJLVCBVOLBQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.56
Rot. Bonds3

About 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid

2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid (PubChem CID 91620100) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
PubChem CID91620100
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)cc(Cl)c1N
InChIInChI=1S/C9H10ClNO3/c1-14-7-3-5(4-8(12)13)2-6(10)9(7)11/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyNQAYJLVCBVOLBQ-UHFFFAOYSA-N
XLogP1.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.56
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

ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
CID 121224675
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-(3,4-diacetyloxy-5-chlorophenyl)acetic acid
CID 70526780
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid
CID 519805
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
2-(3-amino-4-bromo-5-chlorophenyl)acetic acid
CID 131299172
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid?
The IUPAC name of 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid (CID 91620100) is 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid is COc1cc(CC(=O)O)cc(Cl)c1N.
What is the InChIKey of 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid?
The InChIKey is NQAYJLVCBVOLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-14-7-3-5(4-8(12)13)2-6(10)9(7)11/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid?
2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid has a molecular weight of 215.64 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid is sourced from PubChem (CID 91620100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).