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

C8H10N4O4 — CID 136958420

IUPAC2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H10N4O4/c13-6-1-5(11-4-12-6)9-2-7(14)10-3-8(15)16/h1,4H,2-3H2,(H,10,14)(H,15,16)(H2,9,11,12,13)
InChIKeyADTODXLEVQAKON-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.62
Rot. Bonds5

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

2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (PubChem CID 136958420) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
PubChem CID136958420
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H10N4O4/c13-6-1-5(11-4-12-6)9-2-7(14)10-3-8(15)16/h1,4H,2-3H2,(H,10,14)(H,15,16)(H2,9,11,12,13)
InChIKeyADTODXLEVQAKON-UHFFFAOYSA-N
XLogP-1.62
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetyl]amino]acetic acid
CID 136388281
2-[(6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959229
2-[acetyl(2-aminoethyl)amino]acetic acid;2-amino-1H-pyrimidin-6-one
CID 177739719
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
N-ethyl-N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136870166
N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956092
2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
CID 136956132
N-ethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136957644
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958334
2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958419
2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958421

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (CID 136958420) is 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The InChIKey is ADTODXLEVQAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-6-1-5(11-4-12-6)9-2-7(14)10-3-8(15)16/h1,4H,2-3H2,(H,10,14)(H,15,16)(H2,9,11,12,13).
What are the key properties of 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid has a molecular weight of 226.19 g/mol, XLogP of -1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 136958420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).