2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid

C10H12N2O4 — CID 18186074

IUPAC2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid
SMILESCc1ncccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H12N2O4/c1-7-8(3-2-4-11-7)12(5-9(13)14)6-10(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyZZVCNJOKQOGPOP-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.37
Rot. Bonds5

About 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid

2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid (PubChem CID 18186074) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid
PubChem CID18186074
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid
SMILESCc1ncccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H12N2O4/c1-7-8(3-2-4-11-7)12(5-9(13)14)6-10(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyZZVCNJOKQOGPOP-UHFFFAOYSA-N
XLogP0.37
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid (CID 18186074) is 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid is Cc1ncccc1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid?
The InChIKey is ZZVCNJOKQOGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7-8(3-2-4-11-7)12(5-9(13)14)6-10(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid?
2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid has a molecular weight of 224.22 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-methyl-3-pyridinyl)amino]acetic acid is sourced from PubChem (CID 18186074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).