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

C8H11N3O3 — CID 83857354

IUPAC3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESCC(CC(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(2-7(12)13)5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyNIEZXQXXVAVNRO-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.07
Rot. Bonds3

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

3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid (PubChem CID 83857354) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
PubChem CID83857354
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESCC(CC(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(2-7(12)13)5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyNIEZXQXXVAVNRO-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
3-(6-oxo-1H-pyridin-2-yl)butanoic acid
CID 83875652
4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one
CID 83857359
3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
CID 83858971
3-(2,5-dimethyl-1H-pyrrol-3-yl)butanoic acid
CID 82490702
4,6-di(propan-2-yl)-1H-pyrimidin-2-one
CID 59336135
4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
3-(1H-pyrazol-4-yl)butanoic acid
CID 82595364

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid (CID 83857354) is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid.
What is the SMILES notation for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The canonical SMILES for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid is CC(CC(=O)O)c1cc(N)nc(=O)[nH]1.
What is the InChIKey of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The InChIKey is NIEZXQXXVAVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2-7(12)13)5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.07, 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)butanoic acid is sourced from PubChem (CID 83857354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).