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

C7H9N3O3 — CID 119090100

IUPAC2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-10(4-6(11)12)5-2-3-8-7(13)9-5/h2-3H,4H2,1H3,(H,11,12)(H,8,9,13)
InChIKeyWOCYHQVJXZRFOH-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.71
Rot. Bonds3

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

2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid (PubChem CID 119090100) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
PubChem CID119090100
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-10(4-6(11)12)5-2-3-8-7(13)9-5/h2-3H,4H2,1H3,(H,11,12)(H,8,9,13)
InChIKeyWOCYHQVJXZRFOH-UHFFFAOYSA-N
XLogP-0.71
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Oxo-2,3-dihydropyrimidin-4-yl)glycine
CID 352579
4-[(1-Carboxyethyl)amino]-2(1H)-pyrimidinone
CID 352581
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 580018
Methyl 2-[N-methyl-N-(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 586684
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 53788411
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 67800478
2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 69391627
Cytosine acetate
CID 73554277
2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid
CID 141179572
Methyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 141606585
2-(methylamino)-1H-pyrimidine-2-carboxylic acid
CID 150068811
(2S)-2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoic acid
CID 13988998

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid (CID 119090100) is 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid is CN(CC(=O)O)c1ccnc(=O)[nH]1.
What is the InChIKey of 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The InChIKey is WOCYHQVJXZRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10(4-6(11)12)5-2-3-8-7(13)9-5/h2-3H,4H2,1H3,(H,11,12)(H,8,9,13).
What are the key properties of 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid is sourced from PubChem (CID 119090100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).