3-(2-aminopyrimidin-5-yl)propanoic acid

C7H9N3O2 — CID 50897575

IUPAC3-(2-aminopyrimidin-5-yl)propanoic acid
SMILESNc1ncc(CCC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h3-4H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyHQKPDWMFQNOCLN-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.08
Rot. Bonds3

About 3-(2-aminopyrimidin-5-yl)propanoic acid

3-(2-aminopyrimidin-5-yl)propanoic acid (PubChem CID 50897575) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-aminopyrimidin-5-yl)propanoic acid
PubChem CID50897575
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(2-aminopyrimidin-5-yl)propanoic acid
SMILESNc1ncc(CCC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h3-4H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyHQKPDWMFQNOCLN-UHFFFAOYSA-N
XLogP0.08
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminopyrimidin-5-yl)propan-1-ol
CID 66523862
3-(Pyrimidin-5-yl)propanoic acid
CID 17889103
2-Amino-3-(pyrimidin-5-yl)propanoic acid dihydrochloride
CID 139022705
Potassium 3-(2-methoxypyrimidin-5-yl)propanoate
CID 177800250
3-Amino-3-pyrimidin-5-yl-propionic acid
CID 17929675
Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 69228712
(2S)-2-amino-3-(2-aminopyrimidin-5-yl)propanoic acid
CID 89847621
3-(Pyrimidin-5-yl)propanamide
CID 91363418
t-Butyl 3-amino-3-(5-pyrimidinyl)propanoate trifluoroacetate salt
CID 18949152
2-Amino-3-(pyrimidin-5-yl)propanoic acid
CID 21813639
Methyl 3-[2-(trifluoromethyl)-5-pyrimidinyl]propanoate
CID 21936211
(Z)-3-hydroxy-2-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]prop-2-enoic acid
CID 67776415

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(2-aminopyrimidin-5-yl)propanoic acid (CID 50897575) is 3-(2-aminopyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-aminopyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(2-aminopyrimidin-5-yl)propanoic acid is Nc1ncc(CCC(=O)O)cn1.
What is the InChIKey of 3-(2-aminopyrimidin-5-yl)propanoic acid?
The InChIKey is HQKPDWMFQNOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h3-4H,1-2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 3-(2-aminopyrimidin-5-yl)propanoic acid?
3-(2-aminopyrimidin-5-yl)propanoic acid has a molecular weight of 167.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 50897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).