3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

C8H11N3O3 — CID 84667441

IUPAC3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1[nH]c(=O)nc(N)c1CCC(=O)O
InChIInChI=1S/C8H11N3O3/c1-4-5(2-3-6(12)13)7(9)11-8(14)10-4/h2-3H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyGNDQBVSFDNMITF-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.32
Rot. Bonds3

About 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 84667441) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID84667441
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1[nH]c(=O)nc(N)c1CCC(=O)O
InChIInChI=1S/C8H11N3O3/c1-4-5(2-3-6(12)13)7(9)11-8(14)10-4/h2-3H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyGNDQBVSFDNMITF-UHFFFAOYSA-N
XLogP-0.32
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 84667441) is 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is Cc1[nH]c(=O)nc(N)c1CCC(=O)O.
What is the InChIKey of 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is GNDQBVSFDNMITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4-5(2-3-6(12)13)7(9)11-8(14)10-4/h2-3H2,1H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 84667441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).