5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid

C11H15N3O5 — CID 12679379

IUPAC5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
SMILESCC(=O)Nc1nc(O)c(CCCCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h2-5H2,1H3,(H,16,17)(H3,12,13,14,15,18,19)
InChIKeyQOUYTGDJGMTRPW-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.23
Rot. Bonds6

About 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid

5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid (PubChem CID 12679379) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
PubChem CID12679379
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
SMILESCC(=O)Nc1nc(O)c(CCCCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h2-5H2,1H3,(H,16,17)(H3,12,13,14,15,18,19)
InChIKeyQOUYTGDJGMTRPW-UHFFFAOYSA-N
XLogP0.23
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135418958
5-(4-acetamidophenyl)pentanoic acid
CID 82255364
N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
CID 135483277
5-(2-amino-4-benzyl-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 135450708
3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 949209
4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid
CID 3382960
7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
3-[2-(4-fluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973653
N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide
CID 135533212
9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid
CID 142077547
3-[2-(3-hydroxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 136889147

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid?
The IUPAC name of 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid (CID 12679379) is 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid.
What is the SMILES notation for 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid?
The canonical SMILES for 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid is CC(=O)Nc1nc(O)c(CCCCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid?
The InChIKey is QOUYTGDJGMTRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h2-5H2,1H3,(H,16,17)(H3,12,13,14,15,18,19).
What are the key properties of 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid?
5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid has a molecular weight of 269.26 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid is sourced from PubChem (CID 12679379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).