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

C10H9NO6 — CID 6604849

IUPAC4-[(R)-amino(carboxy)methyl]phthalic acid
SMILESN[C@@H](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)/t7-/m1/s1
InChIKeyIJVMOGKBEVRBPP-SSDOTTSWSA-N
MW239.18 g/mol
LogP0.17
Rot. Bonds4

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

4-[(R)-amino(carboxy)methyl]phthalic acid (PubChem CID 6604849) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 4-[(R)-amino(carboxy)methyl]phthalic acid.

Molecular Properties

Compound Name4-[(R)-amino(carboxy)methyl]phthalic acid
PubChem CID6604849
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name4-[(R)-amino(carboxy)methyl]phthalic acid
SMILESN[C@@H](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)/t7-/m1/s1
InChIKeyIJVMOGKBEVRBPP-SSDOTTSWSA-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-[(R)-amino(carboxy)methyl]phthalic acid?
The IUPAC name of 4-[(R)-amino(carboxy)methyl]phthalic acid (CID 6604849) is 4-[(R)-amino(carboxy)methyl]phthalic acid.
What is the SMILES notation for 4-[(R)-amino(carboxy)methyl]phthalic acid?
The canonical SMILES for 4-[(R)-amino(carboxy)methyl]phthalic acid is N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-[(R)-amino(carboxy)methyl]phthalic acid?
The InChIKey is IJVMOGKBEVRBPP-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of 4-[(R)-amino(carboxy)methyl]phthalic acid?
4-[(R)-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-[(R)-amino(carboxy)methyl]phthalic acid is sourced from PubChem (CID 6604849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).