2-(pyrimidine-2-carbonylamino)acetic acid

C7H7N3O3 — CID 68743048

IUPAC2-(pyrimidine-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ncccn1
InChIInChI=1S/C7H7N3O3/c11-5(12)4-10-7(13)6-8-2-1-3-9-6/h1-3H,4H2,(H,10,13)(H,11,12)
InChIKeyKKZRNNLCGJAXLA-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.71
Rot. Bonds3

About 2-(pyrimidine-2-carbonylamino)acetic acid

2-(pyrimidine-2-carbonylamino)acetic acid (PubChem CID 68743048) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 2-(pyrimidine-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(pyrimidine-2-carbonylamino)acetic acid
PubChem CID68743048
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name2-(pyrimidine-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ncccn1
InChIInChI=1S/C7H7N3O3/c11-5(12)4-10-7(13)6-8-2-1-3-9-6/h1-3H,4H2,(H,10,13)(H,11,12)
InChIKeyKKZRNNLCGJAXLA-UHFFFAOYSA-N
XLogP-0.71
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidine-2-carbonylamino)acetic acid?
The IUPAC name of 2-(pyrimidine-2-carbonylamino)acetic acid (CID 68743048) is 2-(pyrimidine-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(pyrimidine-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(pyrimidine-2-carbonylamino)acetic acid is O=C(O)CNC(=O)c1ncccn1.
What is the InChIKey of 2-(pyrimidine-2-carbonylamino)acetic acid?
The InChIKey is KKZRNNLCGJAXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c11-5(12)4-10-7(13)6-8-2-1-3-9-6/h1-3H,4H2,(H,10,13)(H,11,12).
What are the key properties of 2-(pyrimidine-2-carbonylamino)acetic acid?
2-(pyrimidine-2-carbonylamino)acetic acid has a molecular weight of 181.15 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-(pyrimidine-2-carbonylamino)acetic acid is sourced from PubChem (CID 68743048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).