2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid

C9H8ClNO4 — CID 127019839

IUPAC2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid
SMILESO=CNC(C(=O)O)c1cccc(O)c1Cl
InChIInChI=1S/C9H8ClNO4/c10-7-5(2-1-3-6(7)13)8(9(14)15)11-4-12/h1-4,8,13H,(H,11,12)(H,14,15)
InChIKeyQHHXYTOTTITRFJ-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.92
Rot. Bonds4

About 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid

2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid (PubChem CID 127019839) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid.

Molecular Properties

Compound Name2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid
PubChem CID127019839
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid
SMILESO=CNC(C(=O)O)c1cccc(O)c1Cl
InChIInChI=1S/C9H8ClNO4/c10-7-5(2-1-3-6(7)13)8(9(14)15)11-4-12/h1-4,8,13H,(H,11,12)(H,14,15)
InChIKeyQHHXYTOTTITRFJ-UHFFFAOYSA-N
XLogP0.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
2-formamido-2-(4-hydroxyphenyl)acetic acid
CID 10171318
methyl 2-formamido-2-(2-hydroxyphenyl)acetate
CID 10125158
N-benzhydryl-2-formamido-2-(2-hydroxyphenyl)acetamide
CID 171982607
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
2-[2-[[formyloxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 58038872
2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid
CID 18546331
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid?
The IUPAC name of 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid (CID 127019839) is 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid.
What is the SMILES notation for 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid?
The canonical SMILES for 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid is O=CNC(C(=O)O)c1cccc(O)c1Cl.
What is the InChIKey of 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid?
The InChIKey is QHHXYTOTTITRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c10-7-5(2-1-3-6(7)13)8(9(14)15)11-4-12/h1-4,8,13H,(H,11,12)(H,14,15).
What are the key properties of 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid?
2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid has a molecular weight of 229.62 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid is sourced from PubChem (CID 127019839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).