3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid

C7H12N2O2 — CID 22156565

IUPAC3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCC1=NCCCN1
InChIInChI=1S/C7H12N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1-5H2,(H,8,9)(H,10,11)
InChIKeyGTUZLDBHHIBAQG-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.24
Rot. Bonds3

About 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid

3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid (PubChem CID 22156565) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid
PubChem CID22156565
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCC1=NCCCN1
InChIInChI=1S/C7H12N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1-5H2,(H,8,9)(H,10,11)
InChIKeyGTUZLDBHHIBAQG-UHFFFAOYSA-N
XLogP0.24
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid (CID 22156565) is 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid is O=C(O)CCC1=NCCCN1.
What is the InChIKey of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid?
The InChIKey is GTUZLDBHHIBAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1-5H2,(H,8,9)(H,10,11).
What are the key properties of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid?
3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 22156565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).