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

C7H9N3O3 — CID 83857327

IUPAC2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3(6(11)12)4-2-5(8)10-7(13)9-4/h2-3H,1H3,(H,11,12)(H3,8,9,10,13)
InChIKeyQKLLCYBHRIVZNU-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.46
Rot. Bonds2

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

2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 83857327) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID83857327
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3(6(11)12)4-2-5(8)10-7(13)9-4/h2-3H,1H3,(H,11,12)(H3,8,9,10,13)
InChIKeyQKLLCYBHRIVZNU-UHFFFAOYSA-N
XLogP-0.46
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 67469247
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-ethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 33695345
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 82399133
2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 82413494
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851818
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857335
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid (CID 83857327) is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid is CC(C(=O)O)c1cc(N)nc(=O)[nH]1.
What is the InChIKey of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is QKLLCYBHRIVZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3(6(11)12)4-2-5(8)10-7(13)9-4/h2-3H,1H3,(H,11,12)(H3,8,9,10,13).
What are the key properties of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid?
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 83857327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).