2-oxo-2-(pyrimidin-5-ylamino)acetic acid

C6H5N3O3 — CID 107589536

IUPAC2-oxo-2-(pyrimidin-5-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1cncnc1
InChIInChI=1S/C6H5N3O3/c10-5(6(11)12)9-4-1-7-3-8-2-4/h1-3H,(H,9,10)(H,11,12)
InChIKeyWDYVEPYEKZSHJA-UHFFFAOYSA-N
MW167.12 g/mol
LogP-0.50
Rot. Bonds1

About 2-oxo-2-(pyrimidin-5-ylamino)acetic acid

2-oxo-2-(pyrimidin-5-ylamino)acetic acid (PubChem CID 107589536) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is 2-oxo-2-(pyrimidin-5-ylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(pyrimidin-5-ylamino)acetic acid
PubChem CID107589536
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Name2-oxo-2-(pyrimidin-5-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1cncnc1
InChIInChI=1S/C6H5N3O3/c10-5(6(11)12)9-4-1-7-3-8-2-4/h1-3H,(H,9,10)(H,11,12)
InChIKeyWDYVEPYEKZSHJA-UHFFFAOYSA-N
XLogP-0.50
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(Pyrimidin-2-yl)formamido]acetic acid
CID 68743048
Methyl 5-aminopyrimidine-2-carboxylate
CID 10654421
7-Hydroxy-7,8-dihydro-6(5H)-pteridinone
CID 590411
Methyl 5-aminopyrimidine-2-carboxylate hydrochloride
CID 72207940
3-[(Pyrimidin-5-yl)amino]propanoic acid
CID 82539654
5-(Dimethylamino)pyrimidine-2-carboxylic acid
CID 130139910
5-{[(Tert-butoxy)carbonyl]amino}pyrimidine-2-carboxylic acid
CID 131699612
Pyrimidine, 4-amino-5-carboxymethylamino-
CID 23422079
Pyrimidine, 5-amino-4-carboxymethylamino-
CID 23422082
Pyrimidine, 4-amino-5-hydroxyacetamido-
CID 129934673
5-Aminopyrimidine-2-carboxylic Acid
CID 12215997
2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
CID 18452870

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(pyrimidin-5-ylamino)acetic acid?
The IUPAC name of 2-oxo-2-(pyrimidin-5-ylamino)acetic acid (CID 107589536) is 2-oxo-2-(pyrimidin-5-ylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(pyrimidin-5-ylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(pyrimidin-5-ylamino)acetic acid is O=C(O)C(=O)Nc1cncnc1.
What is the InChIKey of 2-oxo-2-(pyrimidin-5-ylamino)acetic acid?
The InChIKey is WDYVEPYEKZSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c10-5(6(11)12)9-4-1-7-3-8-2-4/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 2-oxo-2-(pyrimidin-5-ylamino)acetic acid?
2-oxo-2-(pyrimidin-5-ylamino)acetic acid has a molecular weight of 167.12 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(pyrimidin-5-ylamino)acetic acid is sourced from PubChem (CID 107589536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).