2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid

C9H10N4O6 — CID 12921164

IUPAC2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H10N4O6/c14-5-1-4(12-9(19)13-5)8(18)11-2-6(15)10-3-7(16)17/h1H,2-3H2,(H,10,15)(H,11,18)(H,16,17)(H2,12,13,14,19)
InChIKeyNVKCEJVCBKLIEM-UHFFFAOYSA-N
MW270.20 g/mol
LogP-3.01
Rot. Bonds5

About 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 12921164) has the molecular formula C9H10N4O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID12921164
Molecular FormulaC9H10N4O6
Molecular Weight270.20 g/mol
Exact Mass270.06
IUPAC Name2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H10N4O6/c14-5-1-4(12-9(19)13-5)8(18)11-2-6(15)10-3-7(16)17/h1H,2-3H2,(H,10,15)(H,11,18)(H,16,17)(H2,12,13,14,19)
InChIKeyNVKCEJVCBKLIEM-UHFFFAOYSA-N
XLogP-3.01
TPSA161.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-3.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid (CID 12921164) is 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is NVKCEJVCBKLIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O6/c14-5-1-4(12-9(19)13-5)8(18)11-2-6(15)10-3-7(16)17/h1H,2-3H2,(H,10,15)(H,11,18)(H,16,17)(H2,12,13,14,19).
What are the key properties of 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 270.20 g/mol, XLogP of -3.01, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 12921164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).