2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

C10H11N3O7 — CID 63645903

IUPAC2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O7/c14-6-1-5(11-10(20)12-6)2-7(15)13(3-8(16)17)4-9(18)19/h1H,2-4H2,(H,16,17)(H,18,19)(H2,11,12,14,20)
InChIKeyYWYQNSUXCQSXGO-UHFFFAOYSA-N
MW285.21 g/mol
LogP-2.40
Rot. Bonds6

About 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 63645903) has the molecular formula C10H11N3O7 and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID63645903
Molecular FormulaC10H11N3O7
Molecular Weight285.21 g/mol
Exact Mass285.06
IUPAC Name2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O7/c14-6-1-5(11-10(20)12-6)2-7(15)13(3-8(16)17)4-9(18)19/h1H,2-4H2,(H,16,17)(H,18,19)(H2,11,12,14,20)
InChIKeyYWYQNSUXCQSXGO-UHFFFAOYSA-N
XLogP-2.40
TPSA160.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 63645903) is 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is YWYQNSUXCQSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O7/c14-6-1-5(11-10(20)12-6)2-7(15)13(3-8(16)17)4-9(18)19/h1H,2-4H2,(H,16,17)(H,18,19)(H2,11,12,14,20).
What are the key properties of 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 285.21 g/mol, XLogP of -2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 63645903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).