2-(carboxymethylamino)-4-chlorobenzoic acid

C9H8ClNO4 — CID 11107141

IUPAC2-(carboxymethylamino)-4-chlorobenzoic acid
SMILESO=C(O)CNc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C9H8ClNO4/c10-5-1-2-6(9(14)15)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H,14,15)
InChIKeyUDXGKLGUAJLLCJ-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.53
Rot. Bonds4

About 2-(carboxymethylamino)-4-chlorobenzoic acid

2-(carboxymethylamino)-4-chlorobenzoic acid (PubChem CID 11107141) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-(carboxymethylamino)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)-4-chlorobenzoic acid
PubChem CID11107141
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name2-(carboxymethylamino)-4-chlorobenzoic acid
SMILESO=C(O)CNc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C9H8ClNO4/c10-5-1-2-6(9(14)15)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H,14,15)
InChIKeyUDXGKLGUAJLLCJ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-4-chlorobenzoic acid?
The IUPAC name of 2-(carboxymethylamino)-4-chlorobenzoic acid (CID 11107141) is 2-(carboxymethylamino)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(carboxymethylamino)-4-chlorobenzoic acid?
The canonical SMILES for 2-(carboxymethylamino)-4-chlorobenzoic acid is O=C(O)CNc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)-4-chlorobenzoic acid?
The InChIKey is UDXGKLGUAJLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c10-5-1-2-6(9(14)15)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2-(carboxymethylamino)-4-chlorobenzoic acid?
2-(carboxymethylamino)-4-chlorobenzoic acid has a molecular weight of 229.62 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-4-chlorobenzoic acid is sourced from PubChem (CID 11107141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).