3-(pyrimidine-2-carbonylamino)propanoic acid

C8H9N3O3 — CID 115730014

IUPAC3-(pyrimidine-2-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1ncccn1
InChIInChI=1S/C8H9N3O3/c12-6(13)2-5-11-8(14)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,14)(H,12,13)
InChIKeyJQRHYQZAXALXPG-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.32
Rot. Bonds4

About 3-(pyrimidine-2-carbonylamino)propanoic acid

3-(pyrimidine-2-carbonylamino)propanoic acid (PubChem CID 115730014) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(pyrimidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(pyrimidine-2-carbonylamino)propanoic acid
PubChem CID115730014
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-(pyrimidine-2-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1ncccn1
InChIInChI=1S/C8H9N3O3/c12-6(13)2-5-11-8(14)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,14)(H,12,13)
InChIKeyJQRHYQZAXALXPG-UHFFFAOYSA-N
XLogP-0.32
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidine-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(pyrimidine-2-carbonylamino)propanoic acid (CID 115730014) is 3-(pyrimidine-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(pyrimidine-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(pyrimidine-2-carbonylamino)propanoic acid is O=C(O)CCNC(=O)c1ncccn1.
What is the InChIKey of 3-(pyrimidine-2-carbonylamino)propanoic acid?
The InChIKey is JQRHYQZAXALXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-6(13)2-5-11-8(14)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,14)(H,12,13).
What are the key properties of 3-(pyrimidine-2-carbonylamino)propanoic acid?
3-(pyrimidine-2-carbonylamino)propanoic acid has a molecular weight of 195.18 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 115730014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).