2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid

C10H13N3O5 — CID 66317893

IUPAC2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid
SMILESCCOc1cc(N(CC(=O)O)CC(=O)O)ncn1
InChIInChI=1S/C10H13N3O5/c1-2-18-8-3-7(11-6-12-8)13(4-9(14)15)5-10(16)17/h3,6H,2,4-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyCIVIVRQUOXUOGF-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.15
Rot. Bonds7

About 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid

2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid (PubChem CID 66317893) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid
PubChem CID66317893
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid
SMILESCCOc1cc(N(CC(=O)O)CC(=O)O)ncn1
InChIInChI=1S/C10H13N3O5/c1-2-18-8-3-7(11-6-12-8)13(4-9(14)15)5-10(16)17/h3,6H,2,4-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyCIVIVRQUOXUOGF-UHFFFAOYSA-N
XLogP-0.15
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid (CID 66317893) is 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid is CCOc1cc(N(CC(=O)O)CC(=O)O)ncn1.
What is the InChIKey of 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid?
The InChIKey is CIVIVRQUOXUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-18-8-3-7(11-6-12-8)13(4-9(14)15)5-10(16)17/h3,6H,2,4-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid?
2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66317893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).