2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

C8H9N3O4 — CID 43354446

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C8H9N3O4/c12-6(10-4-7(13)14)5-11-3-1-2-9-8(11)15/h1-3H,4-5H2,(H,10,12)(H,13,14)
InChIKeyHEDMYZCWMOHUFE-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.56
Rot. Bonds4

About 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 43354446) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID43354446
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C8H9N3O4/c12-6(10-4-7(13)14)5-11-3-1-2-9-8(11)15/h1-3H,4-5H2,(H,10,12)(H,13,14)
InChIKeyHEDMYZCWMOHUFE-UHFFFAOYSA-N
XLogP-1.56
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methylamino)-ethylglycine-carbonylmethylene-cytosine
CID 4627777
2-Aminoethylglycine-carbonylmethylene-cytosine
CID 4627781
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258965
3,3,3-Trifluoro-2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 79795650
2-[2-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 4627782
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 17878899
2-[2-aminoethyl-[2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetyl]amino]acetic acid
CID 53837262
2-[Acetyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-(2-oxopyrimidin-1-yl)acetic acid
CID 70253013
Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
2-[3-(2-Oxopyrimidin-1-yl)propanoylamino]acetic acid
CID 175842758
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 43354446) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is HEDMYZCWMOHUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-6(10-4-7(13)14)5-11-3-1-2-9-8(11)15/h1-3H,4-5H2,(H,10,12)(H,13,14).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 211.18 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43354446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).