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

C11H15N3O3 — CID 84700015

IUPAC3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESNc1nc(=O)[nH]c(C2CCC2)c1CCC(=O)O
InChIInChI=1S/C11H15N3O3/c12-10-7(4-5-8(15)16)9(6-2-1-3-6)13-11(17)14-10/h6H,1-5H2,(H,15,16)(H3,12,13,14,17)
InChIKeyTUGVJPJYDZNXOJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.64
Rot. Bonds4

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

3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 84700015) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID84700015
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESNc1nc(=O)[nH]c(C2CCC2)c1CCC(=O)O
InChIInChI=1S/C11H15N3O3/c12-10-7(4-5-8(15)16)9(6-2-1-3-6)13-11(17)14-10/h6H,1-5H2,(H,15,16)(H3,12,13,14,17)
InChIKeyTUGVJPJYDZNXOJ-UHFFFAOYSA-N
XLogP0.64
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83863726
3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84667441
3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84678272
3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84687521
2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84688200
3-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84688204
3-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)propanoic acid
CID 84689708
3-(4-amino-6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
CID 84701333

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 84700015) is 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is Nc1nc(=O)[nH]c(C2CCC2)c1CCC(=O)O.
What is the InChIKey of 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is TUGVJPJYDZNXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-10-7(4-5-8(15)16)9(6-2-1-3-6)13-11(17)14-10/h6H,1-5H2,(H,15,16)(H3,12,13,14,17).
What are the key properties of 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 84700015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).