3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid

C7H9N3O3 — CID 83857320

IUPAC3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESNc1cc(CCC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O3/c8-5-3-4(1-2-6(11)12)9-7(13)10-5/h3H,1-2H2,(H,11,12)(H3,8,9,10,13)
InChIKeyKLDQLFVQOHXBHK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.63
Rot. Bonds3

About 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid

3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 83857320) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID83857320
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESNc1cc(CCC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O3/c8-5-3-4(1-2-6(11)12)9-7(13)10-5/h3H,1-2H2,(H,11,12)(H3,8,9,10,13)
InChIKeyKLDQLFVQOHXBHK-UHFFFAOYSA-N
XLogP-0.63
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 82413493
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851818
4-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857321
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857335
4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857337
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857355
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid (CID 83857320) is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid is Nc1cc(CCC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is KLDQLFVQOHXBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-5-3-4(1-2-6(11)12)9-7(13)10-5/h3H,1-2H2,(H,11,12)(H3,8,9,10,13).
What are the key properties of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 83857320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).