4-[amino(carboxy)methyl]phthalic acid

C10H9NO6 — CID 3313698

IUPAC4-[amino(carboxy)methyl]phthalic acid
SMILESNC(C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyIJVMOGKBEVRBPP-UHFFFAOYSA-N
MW239.18 g/mol
LogP0.17
Rot. Bonds4

About 4-[amino(carboxy)methyl]phthalic acid

4-[amino(carboxy)methyl]phthalic acid (PubChem CID 3313698) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 4-[amino(carboxy)methyl]phthalic acid.

Molecular Properties

Compound Name4-[amino(carboxy)methyl]phthalic acid
PubChem CID3313698
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name4-[amino(carboxy)methyl]phthalic acid
SMILESNC(C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyIJVMOGKBEVRBPP-UHFFFAOYSA-N
XLogP0.17
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(carboxy)methyl]phthalic acid?
The IUPAC name of 4-[amino(carboxy)methyl]phthalic acid (CID 3313698) is 4-[amino(carboxy)methyl]phthalic acid.
What is the SMILES notation for 4-[amino(carboxy)methyl]phthalic acid?
The canonical SMILES for 4-[amino(carboxy)methyl]phthalic acid is NC(C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-[amino(carboxy)methyl]phthalic acid?
The InChIKey is IJVMOGKBEVRBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-[amino(carboxy)methyl]phthalic acid?
4-[amino(carboxy)methyl]phthalic acid has a molecular weight of 239.18 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(carboxy)methyl]phthalic acid is sourced from PubChem (CID 3313698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).